acetaldehyde;acetylene;cyclopropane;ethane;(2S)-1-(2-formamidoacetyl)pyrrolidine-2-carboxamide;5-methoxypent-1-ene;2-methylbutane

C32H63N3O5 — CID 143443513

IUPACacetaldehyde;acetylene;cyclopropane;ethane;(2S)-1-(2-formamidoacetyl)pyrrolidine-2-carboxamide;5-methoxypent-1-ene;2-methylbutane
SMILESC#C.C#C.C1CC1.C=CCCCOC.CC.CC.CC=O.CCC(C)C.NC(=O)[C@@H]1CCCN1C(=O)CNC=O
InChIInChI=1S/C8H13N3O3.C6H12O.C5H12.C3H6.C2H4O.2C2H6.2C2H2/c9-8(14)6-2-1-3-11(6)7(13)4-10-5-12;1-3-4-5-6-7-2;1-4-5(2)3;1-2-3-1;1-2-3;4*1-2/h5-6H,1-4H2,(H2,9,14)(H,10,12);3H,1,4-6H2,2H3;5H,4H2,1-3H3;1-3H2;2H,1H3;2*1-2H3;2*1-2H/t6-;;;;;;;;/m0......../s1
InChIKeyUMBIXUKSXPSTSX-ZCIJAHFASA-N
MW569.87 g/mol
LogP5.79
Rot. Bonds9

About acetaldehyde;acetylene;cyclopropane;ethane;(2S)-1-(2-formamidoacetyl)pyrrolidine-2-carboxamide;5-methoxypent-1-ene;2-methylbutane

acetaldehyde;acetylene;cyclopropane;ethane;(2S)-1-(2-formamidoacetyl)pyrrolidine-2-carboxamide;5-methoxypent-1-ene;2-methylbutane (PubChem CID 143443513) has the molecular formula C32H63N3O5 and a molecular weight of 569.87 g/mol. Its IUPAC name is acetaldehyde;acetylene;cyclopropane;ethane;(2S)-1-(2-formamidoacetyl)pyrrolidine-2-carboxamide;5-methoxypent-1-ene;2-methylbutane.

Molecular Properties

Compound Nameacetaldehyde;acetylene;cyclopropane;ethane;(2S)-1-(2-formamidoacetyl)pyrrolidine-2-carboxamide;5-methoxypent-1-ene;2-methylbutane
PubChem CID143443513
Molecular FormulaC32H63N3O5
Molecular Weight569.87 g/mol
Exact Mass569.48
IUPAC Nameacetaldehyde;acetylene;cyclopropane;ethane;(2S)-1-(2-formamidoacetyl)pyrrolidine-2-carboxamide;5-methoxypent-1-ene;2-methylbutane
SMILESC#C.C#C.C1CC1.C=CCCCOC.CC.CC.CC=O.CCC(C)C.NC(=O)[C@@H]1CCCN1C(=O)CNC=O
InChIInChI=1S/C8H13N3O3.C6H12O.C5H12.C3H6.C2H4O.2C2H6.2C2H2/c9-8(14)6-2-1-3-11(6)7(13)4-10-5-12;1-3-4-5-6-7-2;1-4-5(2)3;1-2-3-1;1-2-3;4*1-2/h5-6H,1-4H2,(H2,9,14)(H,10,12);3H,1,4-6H2,2H3;5H,4H2,1-3H3;1-3H2;2H,1H3;2*1-2H3;2*1-2H/t6-;;;;;;;;/m0......../s1
InChIKeyUMBIXUKSXPSTSX-ZCIJAHFASA-N
XLogP5.79
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.87
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

acetylene;ethane;formaldehyde;hept-1-ene;N-[2-[2-[(1S)-1-methoxyethyl]pyrrolidin-1-yl]-2-oxoethyl]formamide;2-methoxy-2-methylpropane
CID 143895757
1-[2-(prop-2-enylamino)acetyl]pyrrolidine-2-carboxamide
CID 79285269
1-O-(2-methylpropyl) 2-O-undec-10-enyl (2S)-pyrrolidine-1,2-dicarboxylate
CID 20837282
N-[2-(2-acetylpyrrolidin-1-yl)-2-oxoethyl]formamide
CID 171566777
(2S)-1-[2-[(2-methoxyacetyl)amino]acetyl]pyrrolidine-2-carboxamide
CID 142833524
N-(1-formylcyclopropyl)-1-(3-pent-4-enoxybutanoyl)pyrrolidine-2-carboxamide
CID 144619712
1-[2-[[(2S)-2,3-di(tetradecoxy)propyl]amino]acetyl]pyrrolidine-2-carboxamide;hydrochloride
CID 134231692
1-(2-amino-4-methoxybutanoyl)pyrrolidine-2-carboxamide
CID 62473351
(2S)-1-[2-(carbamothioylamino)acetyl]pyrrolidine-2-carboxamide;ethane
CID 143879715
1-(2-amino-3-methoxypropanoyl)pyrrolidine-2-carboxamide
CID 81081543
acetylene;tert-butyl N-[2-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-oxoethyl]carbamate;2-methylpropane;N-prop-1-en-2-ylacetamide
CID 143675504
(2R)-1-propanoylpyrrolidine-2-carboxamide
CID 92979578

Frequently Asked Questions

What is the IUPAC name of acetaldehyde;acetylene;cyclopropane;ethane;(2S)-1-(2-formamidoacetyl)pyrrolidine-2-carboxamide;5-methoxypent-1-ene;2-methylbutane?
The IUPAC name of acetaldehyde;acetylene;cyclopropane;ethane;(2S)-1-(2-formamidoacetyl)pyrrolidine-2-carboxamide;5-methoxypent-1-ene;2-methylbutane (CID 143443513) is acetaldehyde;acetylene;cyclopropane;ethane;(2S)-1-(2-formamidoacetyl)pyrrolidine-2-carboxamide;5-methoxypent-1-ene;2-methylbutane.
What is the SMILES notation for acetaldehyde;acetylene;cyclopropane;ethane;(2S)-1-(2-formamidoacetyl)pyrrolidine-2-carboxamide;5-methoxypent-1-ene;2-methylbutane?
The canonical SMILES for acetaldehyde;acetylene;cyclopropane;ethane;(2S)-1-(2-formamidoacetyl)pyrrolidine-2-carboxamide;5-methoxypent-1-ene;2-methylbutane is C#C.C#C.C1CC1.C=CCCCOC.CC.CC.CC=O.CCC(C)C.NC(=O)[C@@H]1CCCN1C(=O)CNC=O.
What is the InChIKey of acetaldehyde;acetylene;cyclopropane;ethane;(2S)-1-(2-formamidoacetyl)pyrrolidine-2-carboxamide;5-methoxypent-1-ene;2-methylbutane?
The InChIKey is UMBIXUKSXPSTSX-ZCIJAHFASA-N. The full InChI is InChI=1S/C8H13N3O3.C6H12O.C5H12.C3H6.C2H4O.2C2H6.2C2H2/c9-8(14)6-2-1-3-11(6)7(13)4-10-5-12;1-3-4-5-6-7-2;1-4-5(2)3;1-2-3-1;1-2-3;4*1-2/h5-6H,1-4H2,(H2,9,14)(H,10,12);3H,1,4-6H2,2H3;5H,4H2,1-3H3;1-3H2;2H,1H3;2*1-2H3;2*1-2H/t6-;;;;;;;;/m0......../s1.
What are the key properties of acetaldehyde;acetylene;cyclopropane;ethane;(2S)-1-(2-formamidoacetyl)pyrrolidine-2-carboxamide;5-methoxypent-1-ene;2-methylbutane?
acetaldehyde;acetylene;cyclopropane;ethane;(2S)-1-(2-formamidoacetyl)pyrrolidine-2-carboxamide;5-methoxypent-1-ene;2-methylbutane has a molecular weight of 569.87 g/mol, XLogP of 5.79, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetaldehyde;acetylene;cyclopropane;ethane;(2S)-1-(2-formamidoacetyl)pyrrolidine-2-carboxamide;5-methoxypent-1-ene;2-methylbutane is sourced from PubChem (CID 143443513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).