1-cyano-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide

C13H14N2O — CID 99703015

IUPAC1-cyano-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide
SMILESC[C@@H](NC(=O)C1(C#N)CC1)c1ccccc1
InChIInChI=1S/C13H14N2O/c1-10(11-5-3-2-4-6-11)15-12(16)13(9-14)7-8-13/h2-6,10H,7-8H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeyNMGRMBAFIDCRKE-SNVBAGLBSA-N
MW214.27 g/mol
LogP2.17
Rot. Bonds3

About 1-cyano-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide

1-cyano-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide (PubChem CID 99703015) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 1-cyano-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide
PubChem CID99703015
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name1-cyano-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide
SMILESC[C@@H](NC(=O)C1(C#N)CC1)c1ccccc1
InChIInChI=1S/C13H14N2O/c1-10(11-5-3-2-4-6-11)15-12(16)13(9-14)7-8-13/h2-6,10H,7-8H2,1H3,(H,15,16)/t10-/m1/s1
InChIKeyNMGRMBAFIDCRKE-SNVBAGLBSA-N
XLogP2.17
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyano-N-[1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 61459924
1-amino-N-(1-phenylethyl)cyclopropane-1-carboxamide
CID 65465678
1-N'-[(1S)-1-phenylethyl]cyclopropane-1,1-dicarboxamide
CID 68623726
1-amino-N-[(1S)-1-phenylethyl]cyclobutane-1-carboxamide
CID 81169221
1-cyano-N-[1-(4-fluorophenyl)ethyl]-3-methylcyclobutane-1-carboxamide
CID 80502263
1-cyano-N-(1-pyridin-2-ylethyl)cyclohexane-1-carboxamide
CID 61463136
N-[(1S)-1-(4-cyanophenyl)ethyl]-1-phenylcyclopropane-1-carboxamide
CID 33361071
4-cyano-N-[(1S)-2-hydroxy-1-phenylethyl]oxane-4-carboxamide
CID 103945288
(1R)-2,2-dibromo-1-methyl-N-[(1S)-1-phenylethyl]cyclopropane-1-carboxamide
CID 7329878
2,2-dibromo-1-methyl-N-(1-phenylethyl)cyclopropane-1-carboxamide
CID 3109732
1-cyano-N-(3-phenylbutyl)cyclohexane-1-carboxamide
CID 62404207
1-(aminomethyl)-N-(1-phenylethyl)cyclobutane-1-carboxamide
CID 80586699

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-cyano-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide (CID 99703015) is 1-cyano-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide is C[C@@H](NC(=O)C1(C#N)CC1)c1ccccc1.
What is the InChIKey of 1-cyano-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide?
The InChIKey is NMGRMBAFIDCRKE-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H14N2O/c1-10(11-5-3-2-4-6-11)15-12(16)13(9-14)7-8-13/h2-6,10H,7-8H2,1H3,(H,15,16)/t10-/m1/s1.
What are the key properties of 1-cyano-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide?
1-cyano-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide has a molecular weight of 214.27 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 99703015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).