2-aminoethanol;tert-butyl N-(2-aminoethyl)-N-but-3-ynylcarbamate;bis(tert-butyl N-but-3-ynyl-N-(2-hydroxyethyl)carbamate);tert-butyl N-but-3-ynyl-N-propylcarbamate;but-3-yn-1-ol;2-(but-3-ynylamino)ethanol;(2S,5R)-2-(5-hexyl-1,2-oxazol-3-yl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-2-[(E)-hydroxyiminomethyl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2Z,2S,5R)-N-hydroxy-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboximidoyl chloride;isoindole-1,3-dione;methane;oct-1-yne;pent-1-yne

C129H196ClN17O24 — CID 172946875

IUPAC2-aminoethanol;tert-butyl N-(2-aminoethyl)-N-but-3-ynylcarbamate;bis(tert-butyl N-but-3-ynyl-N-(2-hydroxyethyl)carbamate);tert-butyl N-but-3-ynyl-N-propylcarbamate;but-3-yn-1-ol;2-(but-3-ynylamino)ethanol;(2S,5R)-2-(5-hexyl-1,2-oxazol-3-yl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-2-[(E)-hydroxyiminomethyl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2Z,2S,5R)-N-hydroxy-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboximidoyl chloride;isoindole-1,3-dione;methane;oct-1-yne;pent-1-yne
SMILESC.C#CCCC.C#CCCCCCC.C#CCCN(CCC)C(=O)OC(C)(C)C.C#CCCN(CCN)C(=O)OC(C)(C)C.C#CCCN(CCO)C(=O)OC(C)(C)C.C#CCCN(CCO)C(=O)OC(C)(C)C.C#CCCNCCO.C#CCCO.CCCCCCc1cc([C@@H]2CC[C@@H]3CN2C(=O)N3OCc2ccccc2)no1.NCCO.O=C1N2C[C@@H](CC[C@H]2/C(Cl)=N/O)N1OCc1ccccc1.O=C1N2C[C@@H](CC[C@H]2/C=N/O)N1OCc1ccccc1.O=C1NC(=O)c2ccccc21
InChIInChI=1S/C22H29N3O3.C14H16ClN3O3.C14H17N3O3.C12H21NO2.C11H20N2O2.2C11H19NO3.C8H5NO2.C8H14.C6H11NO.C5H8.C4H6O.C2H7NO.CH4/c1-2-3-4-8-11-19-14-20(23-28-19)21-13-12-18-15-24(21)22(26)25(18)27-16-17-9-6-5-7-10-17;15-13(16-20)12-7-6-11-8-17(12)14(19)18(11)21-9-10-4-2-1-3-5-10;18-14-16-9-13(7-6-12(16)8-15-19)17(14)20-10-11-4-2-1-3-5-11;1-6-8-10-13(9-7-2)11(14)15-12(3,4)5;1-5-6-8-13(9-7-12)10(14)15-11(2,3)4;2*1-5-6-7-12(8-9-13)10(14)15-11(2,3)4;10-7-5-3-1-2-4-6(5)8(11)9-7;1-3-5-7-8-6-4-2;1-2-3-4-7-5-6-8;1-3-5-4-2;1-2-3-4-5;3-1-2-4;/h5-7,9-10,14,18,21H,2-4,8,11-13,15-16H2,1H3;1-5,11-12,20H,6-9H2;1-5,8,12-13,19H,6-7,9-10H2;1H,7-10H2,2-5H3;1H,6-9,12H2,2-4H3;2*1,13H,6-9H2,2-4H3;1-4H,(H,9,10,11);1H,4-8H2,2H3;1,7-8H,3-6H2;1H,4-5H2,2H3;1,5H,3-4H2;4H,1-3H2;1H4/b;16-13-;15-8+;;;;;;;;;;;/t18-,21+;11-,12+;12-,13+;;;;;;;;;;;/m110.........../s1
InChIKeyKTDBMPAZPKVECK-MTLGUTEKSA-N
MW2404.53 g/mol
LogP19.22
Rot. Bonds44

About 2-aminoethanol;tert-butyl N-(2-aminoethyl)-N-but-3-ynylcarbamate;bis(tert-butyl N-but-3-ynyl-N-(2-hydroxyethyl)carbamate);tert-butyl N-but-3-ynyl-N-propylcarbamate;but-3-yn-1-ol;2-(but-3-ynylamino)ethanol;(2S,5R)-2-(5-hexyl-1,2-oxazol-3-yl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-2-[(E)-hydroxyiminomethyl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2Z,2S,5R)-N-hydroxy-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboximidoyl chloride;isoindole-1,3-dione;methane;oct-1-yne;pent-1-yne

2-aminoethanol;tert-butyl N-(2-aminoethyl)-N-but-3-ynylcarbamate;bis(tert-butyl N-but-3-ynyl-N-(2-hydroxyethyl)carbamate);tert-butyl N-but-3-ynyl-N-propylcarbamate;but-3-yn-1-ol;2-(but-3-ynylamino)ethanol;(2S,5R)-2-(5-hexyl-1,2-oxazol-3-yl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-2-[(E)-hydroxyiminomethyl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2Z,2S,5R)-N-hydroxy-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboximidoyl chloride;isoindole-1,3-dione;methane;oct-1-yne;pent-1-yne (PubChem CID 172946875) has the molecular formula C129H196ClN17O24 and a molecular weight of 2404.53 g/mol. Its IUPAC name is 2-aminoethanol;tert-butyl N-(2-aminoethyl)-N-but-3-ynylcarbamate;bis(tert-butyl N-but-3-ynyl-N-(2-hydroxyethyl)carbamate);tert-butyl N-but-3-ynyl-N-propylcarbamate;but-3-yn-1-ol;2-(but-3-ynylamino)ethanol;(2S,5R)-2-(5-hexyl-1,2-oxazol-3-yl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-2-[(E)-hydroxyiminomethyl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2Z,2S,5R)-N-hydroxy-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboximidoyl chloride;isoindole-1,3-dione;methane;oct-1-yne;pent-1-yne.

Molecular Properties

Compound Name2-aminoethanol;tert-butyl N-(2-aminoethyl)-N-but-3-ynylcarbamate;bis(tert-butyl N-but-3-ynyl-N-(2-hydroxyethyl)carbamate);tert-butyl N-but-3-ynyl-N-propylcarbamate;but-3-yn-1-ol;2-(but-3-ynylamino)ethanol;(2S,5R)-2-(5-hexyl-1,2-oxazol-3-yl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-2-[(E)-hydroxyiminomethyl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2Z,2S,5R)-N-hydroxy-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboximidoyl chloride;isoindole-1,3-dione;methane;oct-1-yne;pent-1-yne
PubChem CID172946875
Molecular FormulaC129H196ClN17O24
Molecular Weight2404.53 g/mol
Exact Mass2402.43
IUPAC Name2-aminoethanol;tert-butyl N-(2-aminoethyl)-N-but-3-ynylcarbamate;bis(tert-butyl N-but-3-ynyl-N-(2-hydroxyethyl)carbamate);tert-butyl N-but-3-ynyl-N-propylcarbamate;but-3-yn-1-ol;2-(but-3-ynylamino)ethanol;(2S,5R)-2-(5-hexyl-1,2-oxazol-3-yl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-2-[(E)-hydroxyiminomethyl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2Z,2S,5R)-N-hydroxy-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboximidoyl chloride;isoindole-1,3-dione;methane;oct-1-yne;pent-1-yne
SMILESC.C#CCCC.C#CCCCCCC.C#CCCN(CCC)C(=O)OC(C)(C)C.C#CCCN(CCN)C(=O)OC(C)(C)C.C#CCCN(CCO)C(=O)OC(C)(C)C.C#CCCN(CCO)C(=O)OC(C)(C)C.C#CCCNCCO.C#CCCO.CCCCCCc1cc([C@@H]2CC[C@@H]3CN2C(=O)N3OCc2ccccc2)no1.NCCO.O=C1N2C[C@@H](CC[C@H]2/C(Cl)=N/O)N1OCc1ccccc1.O=C1N2C[C@@H](CC[C@H]2/C=N/O)N1OCc1ccccc1.O=C1NC(=O)c2ccccc21
InChIInChI=1S/C22H29N3O3.C14H16ClN3O3.C14H17N3O3.C12H21NO2.C11H20N2O2.2C11H19NO3.C8H5NO2.C8H14.C6H11NO.C5H8.C4H6O.C2H7NO.CH4/c1-2-3-4-8-11-19-14-20(23-28-19)21-13-12-18-15-24(21)22(26)25(18)27-16-17-9-6-5-7-10-17;15-13(16-20)12-7-6-11-8-17(12)14(19)18(11)21-9-10-4-2-1-3-5-10;18-14-16-9-13(7-6-12(16)8-15-19)17(14)20-10-11-4-2-1-3-5-11;1-6-8-10-13(9-7-2)11(14)15-12(3,4)5;1-5-6-8-13(9-7-12)10(14)15-11(2,3)4;2*1-5-6-7-12(8-9-13)10(14)15-11(2,3)4;10-7-5-3-1-2-4-6(5)8(11)9-7;1-3-5-7-8-6-4-2;1-2-3-4-7-5-6-8;1-3-5-4-2;1-2-3-4-5;3-1-2-4;/h5-7,9-10,14,18,21H,2-4,8,11-13,15-16H2,1H3;1-5,11-12,20H,6-9H2;1-5,8,12-13,19H,6-7,9-10H2;1H,7-10H2,2-5H3;1H,6-9,12H2,2-4H3;2*1,13H,6-9H2,2-4H3;1-4H,(H,9,10,11);1H,4-8H2,2H3;1,7-8H,3-6H2;1H,4-5H2,2H3;1,5H,3-4H2;4H,1-3H2;1H4/b;16-13-;15-8+;;;;;;;;;;;/t18-,21+;11-,12+;12-,13+;;;;;;;;;;;/m110.........../s1
InChIKeyKTDBMPAZPKVECK-MTLGUTEKSA-N
XLogP19.22
TPSA519.10 Ų
H-Bond Donors11
H-Bond Acceptors30
Rotatable Bonds44
Heavy Atoms171
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002404.53
LogP ≤ 519.22
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-aminoethanol;tert-butyl N-(2-aminoethyl)-N-but-3-ynylcarbamate;bis(tert-butyl N-but-3-ynyl-N-(2-hydroxyethyl)carbamate);tert-butyl N-but-3-ynyl-N-propylcarbamate;but-3-yn-1-ol;2-(but-3-ynylamino)ethanol;(2S,5R)-2-(5-hexyl-1,2-oxazol-3-yl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-2-[(E)-hydroxyiminomethyl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2Z,2S,5R)-N-hydroxy-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboximidoyl chloride;isoindole-1,3-dione;methane;oct-1-yne;pent-1-yne with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;tert-butyl N-(2-aminoethyl)-N-but-3-ynylcarbamate;bis(tert-butyl N-but-3-ynyl-N-(2-hydroxyethyl)carbamate);tert-butyl N-but-3-ynyl-N-propylcarbamate;but-3-yn-1-ol;2-(but-3-ynylamino)ethanol;(2S,5R)-2-(5-hexyl-1,2-oxazol-3-yl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-2-[(E)-hydroxyiminomethyl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2Z,2S,5R)-N-hydroxy-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboximidoyl chloride;isoindole-1,3-dione;methane;oct-1-yne;pent-1-yne?
The IUPAC name of 2-aminoethanol;tert-butyl N-(2-aminoethyl)-N-but-3-ynylcarbamate;bis(tert-butyl N-but-3-ynyl-N-(2-hydroxyethyl)carbamate);tert-butyl N-but-3-ynyl-N-propylcarbamate;but-3-yn-1-ol;2-(but-3-ynylamino)ethanol;(2S,5R)-2-(5-hexyl-1,2-oxazol-3-yl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-2-[(E)-hydroxyiminomethyl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2Z,2S,5R)-N-hydroxy-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboximidoyl chloride;isoindole-1,3-dione;methane;oct-1-yne;pent-1-yne (CID 172946875) is 2-aminoethanol;tert-butyl N-(2-aminoethyl)-N-but-3-ynylcarbamate;bis(tert-butyl N-but-3-ynyl-N-(2-hydroxyethyl)carbamate);tert-butyl N-but-3-ynyl-N-propylcarbamate;but-3-yn-1-ol;2-(but-3-ynylamino)ethanol;(2S,5R)-2-(5-hexyl-1,2-oxazol-3-yl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-2-[(E)-hydroxyiminomethyl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2Z,2S,5R)-N-hydroxy-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboximidoyl chloride;isoindole-1,3-dione;methane;oct-1-yne;pent-1-yne.
What is the SMILES notation for 2-aminoethanol;tert-butyl N-(2-aminoethyl)-N-but-3-ynylcarbamate;bis(tert-butyl N-but-3-ynyl-N-(2-hydroxyethyl)carbamate);tert-butyl N-but-3-ynyl-N-propylcarbamate;but-3-yn-1-ol;2-(but-3-ynylamino)ethanol;(2S,5R)-2-(5-hexyl-1,2-oxazol-3-yl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-2-[(E)-hydroxyiminomethyl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2Z,2S,5R)-N-hydroxy-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboximidoyl chloride;isoindole-1,3-dione;methane;oct-1-yne;pent-1-yne?
The canonical SMILES for 2-aminoethanol;tert-butyl N-(2-aminoethyl)-N-but-3-ynylcarbamate;bis(tert-butyl N-but-3-ynyl-N-(2-hydroxyethyl)carbamate);tert-butyl N-but-3-ynyl-N-propylcarbamate;but-3-yn-1-ol;2-(but-3-ynylamino)ethanol;(2S,5R)-2-(5-hexyl-1,2-oxazol-3-yl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-2-[(E)-hydroxyiminomethyl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2Z,2S,5R)-N-hydroxy-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboximidoyl chloride;isoindole-1,3-dione;methane;oct-1-yne;pent-1-yne is C.C#CCCC.C#CCCCCCC.C#CCCN(CCC)C(=O)OC(C)(C)C.C#CCCN(CCN)C(=O)OC(C)(C)C.C#CCCN(CCO)C(=O)OC(C)(C)C.C#CCCN(CCO)C(=O)OC(C)(C)C.C#CCCNCCO.C#CCCO.CCCCCCc1cc([C@@H]2CC[C@@H]3CN2C(=O)N3OCc2ccccc2)no1.NCCO.O=C1N2C[C@@H](CC[C@H]2/C(Cl)=N/O)N1OCc1ccccc1.O=C1N2C[C@@H](CC[C@H]2/C=N/O)N1OCc1ccccc1.O=C1NC(=O)c2ccccc21.
What is the InChIKey of 2-aminoethanol;tert-butyl N-(2-aminoethyl)-N-but-3-ynylcarbamate;bis(tert-butyl N-but-3-ynyl-N-(2-hydroxyethyl)carbamate);tert-butyl N-but-3-ynyl-N-propylcarbamate;but-3-yn-1-ol;2-(but-3-ynylamino)ethanol;(2S,5R)-2-(5-hexyl-1,2-oxazol-3-yl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-2-[(E)-hydroxyiminomethyl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2Z,2S,5R)-N-hydroxy-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboximidoyl chloride;isoindole-1,3-dione;methane;oct-1-yne;pent-1-yne?
The InChIKey is KTDBMPAZPKVECK-MTLGUTEKSA-N. The full InChI is InChI=1S/C22H29N3O3.C14H16ClN3O3.C14H17N3O3.C12H21NO2.C11H20N2O2.2C11H19NO3.C8H5NO2.C8H14.C6H11NO.C5H8.C4H6O.C2H7NO.CH4/c1-2-3-4-8-11-19-14-20(23-28-19)21-13-12-18-15-24(21)22(26)25(18)27-16-17-9-6-5-7-10-17;15-13(16-20)12-7-6-11-8-17(12)14(19)18(11)21-9-10-4-2-1-3-5-10;18-14-16-9-13(7-6-12(16)8-15-19)17(14)20-10-11-4-2-1-3-5-11;1-6-8-10-13(9-7-2)11(14)15-12(3,4)5;1-5-6-8-13(9-7-12)10(14)15-11(2,3)4;2*1-5-6-7-12(8-9-13)10(14)15-11(2,3)4;10-7-5-3-1-2-4-6(5)8(11)9-7;1-3-5-7-8-6-4-2;1-2-3-4-7-5-6-8;1-3-5-4-2;1-2-3-4-5;3-1-2-4;/h5-7,9-10,14,18,21H,2-4,8,11-13,15-16H2,1H3;1-5,11-12,20H,6-9H2;1-5,8,12-13,19H,6-7,9-10H2;1H,7-10H2,2-5H3;1H,6-9,12H2,2-4H3;2*1,13H,6-9H2,2-4H3;1-4H,(H,9,10,11);1H,4-8H2,2H3;1,7-8H,3-6H2;1H,4-5H2,2H3;1,5H,3-4H2;4H,1-3H2;1H4/b;16-13-;15-8+;;;;;;;;;;;/t18-,21+;11-,12+;12-,13+;;;;;;;;;;;/m110.........../s1.
What are the key properties of 2-aminoethanol;tert-butyl N-(2-aminoethyl)-N-but-3-ynylcarbamate;bis(tert-butyl N-but-3-ynyl-N-(2-hydroxyethyl)carbamate);tert-butyl N-but-3-ynyl-N-propylcarbamate;but-3-yn-1-ol;2-(but-3-ynylamino)ethanol;(2S,5R)-2-(5-hexyl-1,2-oxazol-3-yl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-2-[(E)-hydroxyiminomethyl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2Z,2S,5R)-N-hydroxy-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboximidoyl chloride;isoindole-1,3-dione;methane;oct-1-yne;pent-1-yne?
2-aminoethanol;tert-butyl N-(2-aminoethyl)-N-but-3-ynylcarbamate;bis(tert-butyl N-but-3-ynyl-N-(2-hydroxyethyl)carbamate);tert-butyl N-but-3-ynyl-N-propylcarbamate;but-3-yn-1-ol;2-(but-3-ynylamino)ethanol;(2S,5R)-2-(5-hexyl-1,2-oxazol-3-yl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-2-[(E)-hydroxyiminomethyl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2Z,2S,5R)-N-hydroxy-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboximidoyl chloride;isoindole-1,3-dione;methane;oct-1-yne;pent-1-yne has a molecular weight of 2404.53 g/mol, XLogP of 19.22, 44 rotatable bonds, 11 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;tert-butyl N-(2-aminoethyl)-N-but-3-ynylcarbamate;bis(tert-butyl N-but-3-ynyl-N-(2-hydroxyethyl)carbamate);tert-butyl N-but-3-ynyl-N-propylcarbamate;but-3-yn-1-ol;2-(but-3-ynylamino)ethanol;(2S,5R)-2-(5-hexyl-1,2-oxazol-3-yl)-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2S,5R)-2-[(E)-hydroxyiminomethyl]-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octan-7-one;(2Z,2S,5R)-N-hydroxy-7-oxo-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboximidoyl chloride;isoindole-1,3-dione;methane;oct-1-yne;pent-1-yne is sourced from PubChem (CID 172946875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).