cyclopropanecarboxamide;formic acid

C5H9NO3 — CID 161444896

IUPACcyclopropanecarboxamide;formic acid
SMILESNC(=O)C1CC1.O=CO
InChIInChI=1S/C4H7NO.CH2O2/c5-4(6)3-1-2-3;2-1-3/h3H,1-2H2,(H2,5,6);1H,(H,2,3)
InChIKeyVZTNSYNSJVEQLH-UHFFFAOYSA-N
MW131.13 g/mol
LogP-0.42
Rot. Bonds1

About cyclopropanecarboxamide;formic acid

cyclopropanecarboxamide;formic acid (PubChem CID 161444896) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is cyclopropanecarboxamide;formic acid.

Molecular Properties

Compound Namecyclopropanecarboxamide;formic acid
PubChem CID161444896
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Namecyclopropanecarboxamide;formic acid
SMILESNC(=O)C1CC1.O=CO
InChIInChI=1S/C4H7NO.CH2O2/c5-4(6)3-1-2-3;2-1-3/h3H,1-2H2,(H2,5,6);1H,(H,2,3)
InChIKeyVZTNSYNSJVEQLH-UHFFFAOYSA-N
XLogP-0.42
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclopropanecarboxamide;formic acid?
The IUPAC name of cyclopropanecarboxamide;formic acid (CID 161444896) is cyclopropanecarboxamide;formic acid.
What is the SMILES notation for cyclopropanecarboxamide;formic acid?
The canonical SMILES for cyclopropanecarboxamide;formic acid is NC(=O)C1CC1.O=CO.
What is the InChIKey of cyclopropanecarboxamide;formic acid?
The InChIKey is VZTNSYNSJVEQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.CH2O2/c5-4(6)3-1-2-3;2-1-3/h3H,1-2H2,(H2,5,6);1H,(H,2,3).
What are the key properties of cyclopropanecarboxamide;formic acid?
cyclopropanecarboxamide;formic acid has a molecular weight of 131.13 g/mol, XLogP of -0.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropanecarboxamide;formic acid is sourced from PubChem (CID 161444896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).