N-(cyanomethyl)-N-cyclopropylcyclopropanecarboxamide

C9H12N2O — CID 82125075

IUPACN-(cyanomethyl)-N-cyclopropylcyclopropanecarboxamide
SMILESN#CCN(C(=O)C1CC1)C1CC1
InChIInChI=1S/C9H12N2O/c10-5-6-11(8-3-4-8)9(12)7-1-2-7/h7-8H,1-4,6H2
InChIKeyTXGZYRZTQIGWAC-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.91
Rot. Bonds3

About N-(cyanomethyl)-N-cyclopropylcyclopropanecarboxamide

N-(cyanomethyl)-N-cyclopropylcyclopropanecarboxamide (PubChem CID 82125075) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is N-(cyanomethyl)-N-cyclopropylcyclopropanecarboxamide.

Molecular Properties

Compound NameN-(cyanomethyl)-N-cyclopropylcyclopropanecarboxamide
PubChem CID82125075
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC NameN-(cyanomethyl)-N-cyclopropylcyclopropanecarboxamide
SMILESN#CCN(C(=O)C1CC1)C1CC1
InChIInChI=1S/C9H12N2O/c10-5-6-11(8-3-4-8)9(12)7-1-2-7/h7-8H,1-4,6H2
InChIKeyTXGZYRZTQIGWAC-UHFFFAOYSA-N
XLogP0.91
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.91
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

N-(cyanomethyl)-N-cyclopentyl-5-methyloxolane-3-carboxamide
CID 114825557
N-(2-cyanoethyl)-N-cyclopropylpiperidine-4-carboxamide
CID 61039700
N-cyclopropyl-N-(cyclopropylmethyl)cyclopropanecarboxamide
CID 63104396
(3R)-N-(cyanomethyl)-N-cyclopropyl-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 52782470
4-[cyclopentyl(prop-2-ynyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120674293
N-(2-aminoethyl)-N-cyclopropylcyclopropanecarboxamide
CID 61350147
N-(cyanomethyl)-N-methylcycloheptanecarboxamide
CID 62586502
N-(cyanomethyl)-N-cyclohexylprop-2-enamide
CID 102248410
N-benzyl-N-(cyanomethyl)cyclopropanecarboxamide
CID 61035902
1-N,4-N-dicyclopentyl-1-N,4-N-diethylcyclohexane-1,4-dicarboxamide
CID 55587581
N-(2-cyanoethyl)-N-cyclopropyl-3,3-difluorocyclohexane-1-carboxamide
CID 114226292
4-amino-N-cyclopropyl-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 60847434

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-N-cyclopropylcyclopropanecarboxamide?
The IUPAC name of N-(cyanomethyl)-N-cyclopropylcyclopropanecarboxamide (CID 82125075) is N-(cyanomethyl)-N-cyclopropylcyclopropanecarboxamide.
What is the SMILES notation for N-(cyanomethyl)-N-cyclopropylcyclopropanecarboxamide?
The canonical SMILES for N-(cyanomethyl)-N-cyclopropylcyclopropanecarboxamide is N#CCN(C(=O)C1CC1)C1CC1.
What is the InChIKey of N-(cyanomethyl)-N-cyclopropylcyclopropanecarboxamide?
The InChIKey is TXGZYRZTQIGWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c10-5-6-11(8-3-4-8)9(12)7-1-2-7/h7-8H,1-4,6H2.
What are the key properties of N-(cyanomethyl)-N-cyclopropylcyclopropanecarboxamide?
N-(cyanomethyl)-N-cyclopropylcyclopropanecarboxamide has a molecular weight of 164.21 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-N-cyclopropylcyclopropanecarboxamide is sourced from PubChem (CID 82125075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).