1-cyanocyclopropane-1-carboxamide

C5H6N2O — CID 14200855

IUPAC1-cyanocyclopropane-1-carboxamide
SMILESN#CC1(C(N)=O)CC1
InChIInChI=1S/C5H6N2O/c6-3-5(1-2-5)4(7)8/h1-2H2,(H2,7,8)
InChIKeyRPTIMANCJIMDLS-UHFFFAOYSA-N
MW110.12 g/mol
LogP-0.22
Rot. Bonds1

About 1-cyanocyclopropane-1-carboxamide

1-cyanocyclopropane-1-carboxamide (PubChem CID 14200855) has the molecular formula C5H6N2O and a molecular weight of 110.12 g/mol. Its IUPAC name is 1-cyanocyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-cyanocyclopropane-1-carboxamide
PubChem CID14200855
Molecular FormulaC5H6N2O
Molecular Weight110.12 g/mol
Exact Mass110.05
IUPAC Name1-cyanocyclopropane-1-carboxamide
SMILESN#CC1(C(N)=O)CC1
InChIInChI=1S/C5H6N2O/c6-3-5(1-2-5)4(7)8/h1-2H2,(H2,7,8)
InChIKeyRPTIMANCJIMDLS-UHFFFAOYSA-N
XLogP-0.22
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.12
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyanocyclopropane-1-carboxamide?
The IUPAC name of 1-cyanocyclopropane-1-carboxamide (CID 14200855) is 1-cyanocyclopropane-1-carboxamide.
What is the SMILES notation for 1-cyanocyclopropane-1-carboxamide?
The canonical SMILES for 1-cyanocyclopropane-1-carboxamide is N#CC1(C(N)=O)CC1.
What is the InChIKey of 1-cyanocyclopropane-1-carboxamide?
The InChIKey is RPTIMANCJIMDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O/c6-3-5(1-2-5)4(7)8/h1-2H2,(H2,7,8).
What are the key properties of 1-cyanocyclopropane-1-carboxamide?
1-cyanocyclopropane-1-carboxamide has a molecular weight of 110.12 g/mol, XLogP of -0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyanocyclopropane-1-carboxamide is sourced from PubChem (CID 14200855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).