N-benzyl-N-(cyanomethyl)cyclopropanecarboxamide

C13H14N2O — CID 61035902

IUPACN-benzyl-N-(cyanomethyl)cyclopropanecarboxamide
SMILESN#CCN(Cc1ccccc1)C(=O)C1CC1
InChIInChI=1S/C13H14N2O/c14-8-9-15(13(16)12-6-7-12)10-11-4-2-1-3-5-11/h1-5,12H,6-7,9-10H2
InChIKeyNFHRWXSCKAVKGM-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.95
Rot. Bonds4

About N-benzyl-N-(cyanomethyl)cyclopropanecarboxamide

N-benzyl-N-(cyanomethyl)cyclopropanecarboxamide (PubChem CID 61035902) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is N-benzyl-N-(cyanomethyl)cyclopropanecarboxamide.

Molecular Properties

Compound NameN-benzyl-N-(cyanomethyl)cyclopropanecarboxamide
PubChem CID61035902
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC NameN-benzyl-N-(cyanomethyl)cyclopropanecarboxamide
SMILESN#CCN(Cc1ccccc1)C(=O)C1CC1
InChIInChI=1S/C13H14N2O/c14-8-9-15(13(16)12-6-7-12)10-11-4-2-1-3-5-11/h1-5,12H,6-7,9-10H2
InChIKeyNFHRWXSCKAVKGM-UHFFFAOYSA-N
XLogP1.95
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(cyanomethyl)cyclopropanecarboxamide?
The IUPAC name of N-benzyl-N-(cyanomethyl)cyclopropanecarboxamide (CID 61035902) is N-benzyl-N-(cyanomethyl)cyclopropanecarboxamide.
What is the SMILES notation for N-benzyl-N-(cyanomethyl)cyclopropanecarboxamide?
The canonical SMILES for N-benzyl-N-(cyanomethyl)cyclopropanecarboxamide is N#CCN(Cc1ccccc1)C(=O)C1CC1.
What is the InChIKey of N-benzyl-N-(cyanomethyl)cyclopropanecarboxamide?
The InChIKey is NFHRWXSCKAVKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c14-8-9-15(13(16)12-6-7-12)10-11-4-2-1-3-5-11/h1-5,12H,6-7,9-10H2.
What are the key properties of N-benzyl-N-(cyanomethyl)cyclopropanecarboxamide?
N-benzyl-N-(cyanomethyl)cyclopropanecarboxamide has a molecular weight of 214.27 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(cyanomethyl)cyclopropanecarboxamide is sourced from PubChem (CID 61035902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).