3-methyliminobutanamide

C5H10N2O — CID 123410050

IUPAC3-methyliminobutanamide
SMILESC/N=C(\C)CC(N)=O
InChIInChI=1S/C5H10N2O/c1-4(7-2)3-5(6)8/h3H2,1-2H3,(H2,6,8)/b7-4+
InChIKeyCUJLPACLKKXDED-QPJJXVBHSA-N
MW114.15 g/mol
LogP-0.05
Rot. Bonds2

About 3-methyliminobutanamide

3-methyliminobutanamide (PubChem CID 123410050) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is 3-methyliminobutanamide.

Molecular Properties

Compound Name3-methyliminobutanamide
PubChem CID123410050
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name3-methyliminobutanamide
SMILESC/N=C(\C)CC(N)=O
InChIInChI=1S/C5H10N2O/c1-4(7-2)3-5(6)8/h3H2,1-2H3,(H2,6,8)/b7-4+
InChIKeyCUJLPACLKKXDED-QPJJXVBHSA-N
XLogP-0.05
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Iminobutanamide
CID 7538028
2,2-Difluoro-3-methyliminobutanamide
CID 124000659
3-imino-N-methylbutanamide
CID 54543829
2-Methyliminopropanamide
CID 55289375
2,3-Diiminobutanamide
CID 55289896
2-Iminobutanamide
CID 57321581
[4-(Methylamino)-4-oxobutan-2-ylidene]azanium
CID 59096564
3-methyl-2H-azirine-2-carboxamide
CID 85555573
4-Methyliminopentanamide
CID 89563801
2-(Methyliminomethylimino)butanamide
CID 90245985
3-Ethylimino-2-isocyanobutanamide
CID 90749250
2,3-Bis(methylimino)butanamide
CID 91070483

Frequently Asked Questions

What is the IUPAC name of 3-methyliminobutanamide?
The IUPAC name of 3-methyliminobutanamide (CID 123410050) is 3-methyliminobutanamide.
What is the SMILES notation for 3-methyliminobutanamide?
The canonical SMILES for 3-methyliminobutanamide is C/N=C(\C)CC(N)=O.
What is the InChIKey of 3-methyliminobutanamide?
The InChIKey is CUJLPACLKKXDED-QPJJXVBHSA-N. The full InChI is InChI=1S/C5H10N2O/c1-4(7-2)3-5(6)8/h3H2,1-2H3,(H2,6,8)/b7-4+.
What are the key properties of 3-methyliminobutanamide?
3-methyliminobutanamide has a molecular weight of 114.15 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyliminobutanamide is sourced from PubChem (CID 123410050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).