2-(cyanomethyl)cyclopropane-1-carboxamide

C6H8N2O — CID 154032477

IUPAC2-(cyanomethyl)cyclopropane-1-carboxamide
SMILESN#CCC1CC1C(N)=O
InChIInChI=1S/C6H8N2O/c7-2-1-4-3-5(4)6(8)9/h4-5H,1,3H2,(H2,8,9)
InChIKeyXDJDYQVYGFIYBL-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.02
Rot. Bonds2

About 2-(cyanomethyl)cyclopropane-1-carboxamide

2-(cyanomethyl)cyclopropane-1-carboxamide (PubChem CID 154032477) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 2-(cyanomethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-(cyanomethyl)cyclopropane-1-carboxamide
PubChem CID154032477
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name2-(cyanomethyl)cyclopropane-1-carboxamide
SMILESN#CCC1CC1C(N)=O
InChIInChI=1S/C6H8N2O/c7-2-1-4-3-5(4)6(8)9/h4-5H,1,3H2,(H2,8,9)
InChIKeyXDJDYQVYGFIYBL-UHFFFAOYSA-N
XLogP0.02
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2R)-2-(hydroxymethyl)cyclopropane-1-carboxamide
CID 70292237
trans-(1R,2S)-2-cyanocyclopropane-1-carboxamide
CID 169449238
cis-(1R,2R)-2-(sulfamoylmethyl)cyclopropane-1-carboxamide
CID 165469584
trans-(1R,2R)-2-aminocyclopropane-1-carboxamide
CID 89465194
2-(2-bromocyclopropyl)acetonitrile
CID 141343888
trans-(1S,2S)-2-aminocyclobutane-1-carboxamide
CID 97301417
3-[(1R,2R)-2-ethylcyclopropyl]-3-oxopropanenitrile
CID 130826261
2-sulfanylcyclopropane-1-carboxamide
CID 123387138
cis-(1R,2R)-2-fluorocyclopropane-1-carboxamide
CID 119095885
2-[(2R)-2-cyanocyclopropyl]acetamide
CID 89422848
[6-(cyanomethyl)-2-bicyclo[2.2.1]heptanyl]methyl 2,2-dimethylpropanoate
CID 134369002
2-[(1R,2S)-2-aminocyclohexyl]acetonitrile;tert-butyl N-[(1S,2R)-2-(cyanomethyl)cyclohexyl]carbamate
CID 160550448

Frequently Asked Questions

What is the IUPAC name of 2-(cyanomethyl)cyclopropane-1-carboxamide?
The IUPAC name of 2-(cyanomethyl)cyclopropane-1-carboxamide (CID 154032477) is 2-(cyanomethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-(cyanomethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-(cyanomethyl)cyclopropane-1-carboxamide is N#CCC1CC1C(N)=O.
What is the InChIKey of 2-(cyanomethyl)cyclopropane-1-carboxamide?
The InChIKey is XDJDYQVYGFIYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c7-2-1-4-3-5(4)6(8)9/h4-5H,1,3H2,(H2,8,9).
What are the key properties of 2-(cyanomethyl)cyclopropane-1-carboxamide?
2-(cyanomethyl)cyclopropane-1-carboxamide has a molecular weight of 124.14 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyanomethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 154032477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).