1-cyanocyclopropane-1-carboxylic acid;formic acid

C6H7NO4 — CID 174962912

IUPAC1-cyanocyclopropane-1-carboxylic acid;formic acid
SMILESN#CC1(C(=O)O)CC1.O=CO
InChIInChI=1S/C5H5NO2.CH2O2/c6-3-5(1-2-5)4(7)8;2-1-3/h1-2H2,(H,7,8);1H,(H,2,3)
InChIKeyODICYIVXCSCPNP-UHFFFAOYSA-N
MW157.12 g/mol
LogP0.08
Rot. Bonds1

About 1-cyanocyclopropane-1-carboxylic acid;formic acid

1-cyanocyclopropane-1-carboxylic acid;formic acid (PubChem CID 174962912) has the molecular formula C6H7NO4 and a molecular weight of 157.12 g/mol. Its IUPAC name is 1-cyanocyclopropane-1-carboxylic acid;formic acid.

Molecular Properties

Compound Name1-cyanocyclopropane-1-carboxylic acid;formic acid
PubChem CID174962912
Molecular FormulaC6H7NO4
Molecular Weight157.12 g/mol
Exact Mass157.04
IUPAC Name1-cyanocyclopropane-1-carboxylic acid;formic acid
SMILESN#CC1(C(=O)O)CC1.O=CO
InChIInChI=1S/C5H5NO2.CH2O2/c6-3-5(1-2-5)4(7)8;2-1-3/h1-2H2,(H,7,8);1H,(H,2,3)
InChIKeyODICYIVXCSCPNP-UHFFFAOYSA-N
XLogP0.08
TPSA98.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.12
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-cyanocyclopropane-1-carboxylic acid;formic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyanocyclopropane-1-carboxylic acid;formic acid?
The IUPAC name of 1-cyanocyclopropane-1-carboxylic acid;formic acid (CID 174962912) is 1-cyanocyclopropane-1-carboxylic acid;formic acid.
What is the SMILES notation for 1-cyanocyclopropane-1-carboxylic acid;formic acid?
The canonical SMILES for 1-cyanocyclopropane-1-carboxylic acid;formic acid is N#CC1(C(=O)O)CC1.O=CO.
What is the InChIKey of 1-cyanocyclopropane-1-carboxylic acid;formic acid?
The InChIKey is ODICYIVXCSCPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO2.CH2O2/c6-3-5(1-2-5)4(7)8;2-1-3/h1-2H2,(H,7,8);1H,(H,2,3).
What are the key properties of 1-cyanocyclopropane-1-carboxylic acid;formic acid?
1-cyanocyclopropane-1-carboxylic acid;formic acid has a molecular weight of 157.12 g/mol, XLogP of 0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyanocyclopropane-1-carboxylic acid;formic acid is sourced from PubChem (CID 174962912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).