3-imino-N-methylidenepropanamide

C4H6N2O — CID 20646586

IUPAC3-imino-N-methylidenepropanamide
SMILES[H]/N=C/CC(=O)N=C
InChIInChI=1S/C4H6N2O/c1-6-4(7)2-3-5/h3,5H,1-2H2/b5-3+
InChIKeyKGWAOXDAASLTFN-HWKANZROSA-N
MW98.10 g/mol
LogP0.25
Rot. Bonds2

About 3-imino-N-methylidenepropanamide

3-imino-N-methylidenepropanamide (PubChem CID 20646586) has the molecular formula C4H6N2O and a molecular weight of 98.10 g/mol. Its IUPAC name is 3-imino-N-methylidenepropanamide.

Molecular Properties

Compound Name3-imino-N-methylidenepropanamide
PubChem CID20646586
Molecular FormulaC4H6N2O
Molecular Weight98.10 g/mol
Exact Mass98.05
IUPAC Name3-imino-N-methylidenepropanamide
SMILES[H]/N=C/CC(=O)N=C
InChIInChI=1S/C4H6N2O/c1-6-4(7)2-3-5/h3,5H,1-2H2/b5-3+
InChIKeyKGWAOXDAASLTFN-HWKANZROSA-N
XLogP0.25
TPSA53.28 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.10
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-imino-N-methylidenepropanamide?
The IUPAC name of 3-imino-N-methylidenepropanamide (CID 20646586) is 3-imino-N-methylidenepropanamide.
What is the SMILES notation for 3-imino-N-methylidenepropanamide?
The canonical SMILES for 3-imino-N-methylidenepropanamide is [H]/N=C/CC(=O)N=C.
What is the InChIKey of 3-imino-N-methylidenepropanamide?
The InChIKey is KGWAOXDAASLTFN-HWKANZROSA-N. The full InChI is InChI=1S/C4H6N2O/c1-6-4(7)2-3-5/h3,5H,1-2H2/b5-3+.
What are the key properties of 3-imino-N-methylidenepropanamide?
3-imino-N-methylidenepropanamide has a molecular weight of 98.10 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-N-methylidenepropanamide is sourced from PubChem (CID 20646586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).