3-iminobutanamide

C4H8N2O — CID 7538028

IUPAC3-iminobutanamide
SMILES[H]/N=C(\C)CC(N)=O
InChIInChI=1S/C4H8N2O/c1-3(5)2-4(6)7/h5H,2H2,1H3,(H2,6,7)/b5-3+
InChIKeyFMNOKALUNSAMRW-HWKANZROSA-N
MW100.12 g/mol
LogP-0.10
Rot. Bonds2

About 3-iminobutanamide

3-iminobutanamide (PubChem CID 7538028) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is 3-iminobutanamide.

Molecular Properties

Compound Name3-iminobutanamide
PubChem CID7538028
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC Name3-iminobutanamide
SMILES[H]/N=C(\C)CC(N)=O
InChIInChI=1S/C4H8N2O/c1-3(5)2-4(6)7/h5H,2H2,1H3,(H2,6,7)/b5-3+
InChIKeyFMNOKALUNSAMRW-HWKANZROSA-N
XLogP-0.10
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
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-iminobutanamide?
The IUPAC name of 3-iminobutanamide (CID 7538028) is 3-iminobutanamide.
What is the SMILES notation for 3-iminobutanamide?
The canonical SMILES for 3-iminobutanamide is [H]/N=C(\C)CC(N)=O.
What is the InChIKey of 3-iminobutanamide?
The InChIKey is FMNOKALUNSAMRW-HWKANZROSA-N. The full InChI is InChI=1S/C4H8N2O/c1-3(5)2-4(6)7/h5H,2H2,1H3,(H2,6,7)/b5-3+.
What are the key properties of 3-iminobutanamide?
3-iminobutanamide has a molecular weight of 100.12 g/mol, XLogP of -0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iminobutanamide is sourced from PubChem (CID 7538028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).