benzyl prop-2-ynoate;3-bromo-5-cyclopropylpyridin-2-amine;5-cyclopropylpyridin-2-amine;1,3-dichloropropan-2-one;ethyl 3-(2-amino-5-cyclopropyl-3-pyridinyl)propanoate;ethyl (E)-3-(2-amino-5-cyclopropyl-3-pyridinyl)prop-2-enoate;ethyl 3-[2-(azidomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoate;ethyl 3-[2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoate;ethyl prop-2-enoate

C92H111BrCl3N15O13 — CID 160717718

IUPACbenzyl prop-2-ynoate;3-bromo-5-cyclopropylpyridin-2-amine;5-cyclopropylpyridin-2-amine;1,3-dichloropropan-2-one;ethyl 3-(2-amino-5-cyclopropyl-3-pyridinyl)propanoate;ethyl (E)-3-(2-amino-5-cyclopropyl-3-pyridinyl)prop-2-enoate;ethyl 3-[2-(azidomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoate;ethyl 3-[2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoate;ethyl prop-2-enoate
SMILESC#CC(=O)OCc1ccccc1.C=CC(=O)OCC.CCOC(=O)/C=C/c1cc(C2CC2)cnc1N.CCOC(=O)CCc1cc(C2CC2)cn2cc(CCl)nc12.CCOC(=O)CCc1cc(C2CC2)cn2cc(CN=[N+]=[N-])nc12.CCOC(=O)CCc1cc(C2CC2)cnc1N.Nc1ccc(C2CC2)cn1.Nc1ncc(C2CC2)cc1Br.O=C(CCl)CCl
InChIInChI=1S/C16H19ClN2O2.C16H19N5O2.C13H18N2O2.C13H16N2O2.C10H8O2.C8H9BrN2.C8H10N2.C5H8O2.C3H4Cl2O/c1-2-21-15(20)6-5-12-7-13(11-3-4-11)9-19-10-14(8-17)18-16(12)19;1-2-23-15(22)6-5-12-7-13(11-3-4-11)9-21-10-14(8-18-20-17)19-16(12)21;2*1-2-17-12(16)6-5-10-7-11(9-3-4-9)8-15-13(10)14;1-2-10(11)12-8-9-6-4-3-5-7-9;9-7-3-6(5-1-2-5)4-11-8(7)10;9-8-4-3-7(5-10-8)6-1-2-6;1-3-5(6)7-4-2;4-1-3(6)2-5/h7,9-11H,2-6,8H2,1H3;7,9-11H,2-6,8H2,1H3;7-9H,2-6H2,1H3,(H2,14,15);5-9H,2-4H2,1H3,(H2,14,15);1,3-7H,8H2;3-5H,1-2H2,(H2,10,11);3-6H,1-2H2,(H2,9,10);3H,1,4H2,2H3;1-2H2/b;;;6-5+;;;;;
InChIKeyRSRSBVJDOQHOFK-GPDSLWBCSA-N
MW1821.25 g/mol
LogP18.09
Rot. Bonds30

About benzyl prop-2-ynoate;3-bromo-5-cyclopropylpyridin-2-amine;5-cyclopropylpyridin-2-amine;1,3-dichloropropan-2-one;ethyl 3-(2-amino-5-cyclopropyl-3-pyridinyl)propanoate;ethyl (E)-3-(2-amino-5-cyclopropyl-3-pyridinyl)prop-2-enoate;ethyl 3-[2-(azidomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoate;ethyl 3-[2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoate;ethyl prop-2-enoate

benzyl prop-2-ynoate;3-bromo-5-cyclopropylpyridin-2-amine;5-cyclopropylpyridin-2-amine;1,3-dichloropropan-2-one;ethyl 3-(2-amino-5-cyclopropyl-3-pyridinyl)propanoate;ethyl (E)-3-(2-amino-5-cyclopropyl-3-pyridinyl)prop-2-enoate;ethyl 3-[2-(azidomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoate;ethyl 3-[2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoate;ethyl prop-2-enoate (PubChem CID 160717718) has the molecular formula C92H111BrCl3N15O13 and a molecular weight of 1821.25 g/mol. Its IUPAC name is benzyl prop-2-ynoate;3-bromo-5-cyclopropylpyridin-2-amine;5-cyclopropylpyridin-2-amine;1,3-dichloropropan-2-one;ethyl 3-(2-amino-5-cyclopropyl-3-pyridinyl)propanoate;ethyl (E)-3-(2-amino-5-cyclopropyl-3-pyridinyl)prop-2-enoate;ethyl 3-[2-(azidomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoate;ethyl 3-[2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoate;ethyl prop-2-enoate.

Molecular Properties

Compound Namebenzyl prop-2-ynoate;3-bromo-5-cyclopropylpyridin-2-amine;5-cyclopropylpyridin-2-amine;1,3-dichloropropan-2-one;ethyl 3-(2-amino-5-cyclopropyl-3-pyridinyl)propanoate;ethyl (E)-3-(2-amino-5-cyclopropyl-3-pyridinyl)prop-2-enoate;ethyl 3-[2-(azidomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoate;ethyl 3-[2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoate;ethyl prop-2-enoate
PubChem CID160717718
Molecular FormulaC92H111BrCl3N15O13
Molecular Weight1821.25 g/mol
Exact Mass1817.67
IUPAC Namebenzyl prop-2-ynoate;3-bromo-5-cyclopropylpyridin-2-amine;5-cyclopropylpyridin-2-amine;1,3-dichloropropan-2-one;ethyl 3-(2-amino-5-cyclopropyl-3-pyridinyl)propanoate;ethyl (E)-3-(2-amino-5-cyclopropyl-3-pyridinyl)prop-2-enoate;ethyl 3-[2-(azidomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoate;ethyl 3-[2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoate;ethyl prop-2-enoate
SMILESC#CC(=O)OCc1ccccc1.C=CC(=O)OCC.CCOC(=O)/C=C/c1cc(C2CC2)cnc1N.CCOC(=O)CCc1cc(C2CC2)cn2cc(CCl)nc12.CCOC(=O)CCc1cc(C2CC2)cn2cc(CN=[N+]=[N-])nc12.CCOC(=O)CCc1cc(C2CC2)cnc1N.Nc1ccc(C2CC2)cn1.Nc1ncc(C2CC2)cc1Br.O=C(CCl)CCl
InChIInChI=1S/C16H19ClN2O2.C16H19N5O2.C13H18N2O2.C13H16N2O2.C10H8O2.C8H9BrN2.C8H10N2.C5H8O2.C3H4Cl2O/c1-2-21-15(20)6-5-12-7-13(11-3-4-11)9-19-10-14(8-17)18-16(12)19;1-2-23-15(22)6-5-12-7-13(11-3-4-11)9-21-10-14(8-18-20-17)19-16(12)21;2*1-2-17-12(16)6-5-10-7-11(9-3-4-9)8-15-13(10)14;1-2-10(11)12-8-9-6-4-3-5-7-9;9-7-3-6(5-1-2-5)4-11-8(7)10;9-8-4-3-7(5-10-8)6-1-2-6;1-3-5(6)7-4-2;4-1-3(6)2-5/h7,9-11H,2-6,8H2,1H3;7,9-11H,2-6,8H2,1H3;7-9H,2-6H2,1H3,(H2,14,15);5-9H,2-4H2,1H3,(H2,14,15);1,3-7H,8H2;3-5H,1-2H2,(H2,10,11);3-6H,1-2H2,(H2,9,10);3H,1,4H2,2H3;1-2H2/b;;;6-5+;;;;;
InChIKeyRSRSBVJDOQHOFK-GPDSLWBCSA-N
XLogP18.09
TPSA413.87 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds30
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001821.25
LogP ≤ 518.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze benzyl prop-2-ynoate;3-bromo-5-cyclopropylpyridin-2-amine;5-cyclopropylpyridin-2-amine;1,3-dichloropropan-2-one;ethyl 3-(2-amino-5-cyclopropyl-3-pyridinyl)propanoate;ethyl (E)-3-(2-amino-5-cyclopropyl-3-pyridinyl)prop-2-enoate;ethyl 3-[2-(azidomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoate;ethyl 3-[2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoate;ethyl prop-2-enoate with MolForge

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Related Compounds

CID 157481406
CID 157481406
(2-Amino-5-cyclopropyl-3-pyridinyl)-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxetan-3-yl]methanol;[2-(azidomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]-[3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxetan-3-yl]methanol;benzyl prop-2-ynoate;3-bromo-5-cyclopropylpyridin-2-amine;3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxetane-3-carbaldehyde;[3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxetan-3-yl]-[2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methanol;[3-[[tert-butyl(diphenyl)silyl]oxymethyl]oxetan-3-yl]methanol;1,3-dichloropropan-2-one;[3-(hydroxymethyl)oxetan-3-yl]methanol
CID 161163944
ethyl 6-amino-5-bromopyridine-3-carboxylate;ethyl 6-amino-5-(2-cyclopropylethynyl)pyridine-3-carboxylate;ethyl 6-cyclopropyl-7H-cyclopenta[b]pyridine-3-carboxylate;ethyl 2-cyclopropyl-1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridine-5-carboxylate
CID 161412776

Frequently Asked Questions

What is the IUPAC name of benzyl prop-2-ynoate;3-bromo-5-cyclopropylpyridin-2-amine;5-cyclopropylpyridin-2-amine;1,3-dichloropropan-2-one;ethyl 3-(2-amino-5-cyclopropyl-3-pyridinyl)propanoate;ethyl (E)-3-(2-amino-5-cyclopropyl-3-pyridinyl)prop-2-enoate;ethyl 3-[2-(azidomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoate;ethyl 3-[2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoate;ethyl prop-2-enoate?
The IUPAC name of benzyl prop-2-ynoate;3-bromo-5-cyclopropylpyridin-2-amine;5-cyclopropylpyridin-2-amine;1,3-dichloropropan-2-one;ethyl 3-(2-amino-5-cyclopropyl-3-pyridinyl)propanoate;ethyl (E)-3-(2-amino-5-cyclopropyl-3-pyridinyl)prop-2-enoate;ethyl 3-[2-(azidomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoate;ethyl 3-[2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoate;ethyl prop-2-enoate (CID 160717718) is benzyl prop-2-ynoate;3-bromo-5-cyclopropylpyridin-2-amine;5-cyclopropylpyridin-2-amine;1,3-dichloropropan-2-one;ethyl 3-(2-amino-5-cyclopropyl-3-pyridinyl)propanoate;ethyl (E)-3-(2-amino-5-cyclopropyl-3-pyridinyl)prop-2-enoate;ethyl 3-[2-(azidomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoate;ethyl 3-[2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoate;ethyl prop-2-enoate.
What is the SMILES notation for benzyl prop-2-ynoate;3-bromo-5-cyclopropylpyridin-2-amine;5-cyclopropylpyridin-2-amine;1,3-dichloropropan-2-one;ethyl 3-(2-amino-5-cyclopropyl-3-pyridinyl)propanoate;ethyl (E)-3-(2-amino-5-cyclopropyl-3-pyridinyl)prop-2-enoate;ethyl 3-[2-(azidomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoate;ethyl 3-[2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoate;ethyl prop-2-enoate?
The canonical SMILES for benzyl prop-2-ynoate;3-bromo-5-cyclopropylpyridin-2-amine;5-cyclopropylpyridin-2-amine;1,3-dichloropropan-2-one;ethyl 3-(2-amino-5-cyclopropyl-3-pyridinyl)propanoate;ethyl (E)-3-(2-amino-5-cyclopropyl-3-pyridinyl)prop-2-enoate;ethyl 3-[2-(azidomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoate;ethyl 3-[2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoate;ethyl prop-2-enoate is C#CC(=O)OCc1ccccc1.C=CC(=O)OCC.CCOC(=O)/C=C/c1cc(C2CC2)cnc1N.CCOC(=O)CCc1cc(C2CC2)cn2cc(CCl)nc12.CCOC(=O)CCc1cc(C2CC2)cn2cc(CN=[N+]=[N-])nc12.CCOC(=O)CCc1cc(C2CC2)cnc1N.Nc1ccc(C2CC2)cn1.Nc1ncc(C2CC2)cc1Br.O=C(CCl)CCl.
What is the InChIKey of benzyl prop-2-ynoate;3-bromo-5-cyclopropylpyridin-2-amine;5-cyclopropylpyridin-2-amine;1,3-dichloropropan-2-one;ethyl 3-(2-amino-5-cyclopropyl-3-pyridinyl)propanoate;ethyl (E)-3-(2-amino-5-cyclopropyl-3-pyridinyl)prop-2-enoate;ethyl 3-[2-(azidomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoate;ethyl 3-[2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoate;ethyl prop-2-enoate?
The InChIKey is RSRSBVJDOQHOFK-GPDSLWBCSA-N. The full InChI is InChI=1S/C16H19ClN2O2.C16H19N5O2.C13H18N2O2.C13H16N2O2.C10H8O2.C8H9BrN2.C8H10N2.C5H8O2.C3H4Cl2O/c1-2-21-15(20)6-5-12-7-13(11-3-4-11)9-19-10-14(8-17)18-16(12)19;1-2-23-15(22)6-5-12-7-13(11-3-4-11)9-21-10-14(8-18-20-17)19-16(12)21;2*1-2-17-12(16)6-5-10-7-11(9-3-4-9)8-15-13(10)14;1-2-10(11)12-8-9-6-4-3-5-7-9;9-7-3-6(5-1-2-5)4-11-8(7)10;9-8-4-3-7(5-10-8)6-1-2-6;1-3-5(6)7-4-2;4-1-3(6)2-5/h7,9-11H,2-6,8H2,1H3;7,9-11H,2-6,8H2,1H3;7-9H,2-6H2,1H3,(H2,14,15);5-9H,2-4H2,1H3,(H2,14,15);1,3-7H,8H2;3-5H,1-2H2,(H2,10,11);3-6H,1-2H2,(H2,9,10);3H,1,4H2,2H3;1-2H2/b;;;6-5+;;;;;.
What are the key properties of benzyl prop-2-ynoate;3-bromo-5-cyclopropylpyridin-2-amine;5-cyclopropylpyridin-2-amine;1,3-dichloropropan-2-one;ethyl 3-(2-amino-5-cyclopropyl-3-pyridinyl)propanoate;ethyl (E)-3-(2-amino-5-cyclopropyl-3-pyridinyl)prop-2-enoate;ethyl 3-[2-(azidomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoate;ethyl 3-[2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoate;ethyl prop-2-enoate?
benzyl prop-2-ynoate;3-bromo-5-cyclopropylpyridin-2-amine;5-cyclopropylpyridin-2-amine;1,3-dichloropropan-2-one;ethyl 3-(2-amino-5-cyclopropyl-3-pyridinyl)propanoate;ethyl (E)-3-(2-amino-5-cyclopropyl-3-pyridinyl)prop-2-enoate;ethyl 3-[2-(azidomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoate;ethyl 3-[2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoate;ethyl prop-2-enoate has a molecular weight of 1821.25 g/mol, XLogP of 18.09, 30 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl prop-2-ynoate;3-bromo-5-cyclopropylpyridin-2-amine;5-cyclopropylpyridin-2-amine;1,3-dichloropropan-2-one;ethyl 3-(2-amino-5-cyclopropyl-3-pyridinyl)propanoate;ethyl (E)-3-(2-amino-5-cyclopropyl-3-pyridinyl)prop-2-enoate;ethyl 3-[2-(azidomethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoate;ethyl 3-[2-(chloromethyl)-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]propanoate;ethyl prop-2-enoate is sourced from PubChem (CID 160717718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).