cyclopropanamine;formamide

C4H10N2O — CID 174711245

IUPACcyclopropanamine;formamide
SMILESNC1CC1.NC=O
InChIInChI=1S/C3H7N.CH3NO/c4-3-1-2-3;2-1-3/h3H,1-2,4H2;1H,(H2,2,3)
InChIKeyRWVNITBUTUOMOY-UHFFFAOYSA-N
MW102.14 g/mol
LogP-0.79
Rot. Bonds

About cyclopropanamine;formamide

cyclopropanamine;formamide (PubChem CID 174711245) has the molecular formula C4H10N2O and a molecular weight of 102.14 g/mol. Its IUPAC name is cyclopropanamine;formamide.

Molecular Properties

Compound Namecyclopropanamine;formamide
PubChem CID174711245
Molecular FormulaC4H10N2O
Molecular Weight102.14 g/mol
Exact Mass102.08
IUPAC Namecyclopropanamine;formamide
SMILESNC1CC1.NC=O
InChIInChI=1S/C3H7N.CH3NO/c4-3-1-2-3;2-1-3/h3H,1-2,4H2;1H,(H2,2,3)
InChIKeyRWVNITBUTUOMOY-UHFFFAOYSA-N
XLogP-0.79
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.14
LogP ≤ 5-0.79
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 cyclopropanamine;formamide?
The IUPAC name of cyclopropanamine;formamide (CID 174711245) is cyclopropanamine;formamide.
What is the SMILES notation for cyclopropanamine;formamide?
The canonical SMILES for cyclopropanamine;formamide is NC1CC1.NC=O.
What is the InChIKey of cyclopropanamine;formamide?
The InChIKey is RWVNITBUTUOMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N.CH3NO/c4-3-1-2-3;2-1-3/h3H,1-2,4H2;1H,(H2,2,3).
What are the key properties of cyclopropanamine;formamide?
cyclopropanamine;formamide has a molecular weight of 102.14 g/mol, XLogP of -0.79, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropanamine;formamide is sourced from PubChem (CID 174711245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).