2-methyliminobut-3-enamide

C5H8N2O — CID 123641945

IUPAC2-methyliminobut-3-enamide
SMILESC=C/C(=N\C)C(N)=O
InChIInChI=1S/C5H8N2O/c1-3-4(7-2)5(6)8/h3H,1H2,2H3,(H2,6,8)/b7-4+
InChIKeyOSLDIFUKHCSKBW-QPJJXVBHSA-N
MW112.13 g/mol
LogP-0.27
Rot. Bonds2

About 2-methyliminobut-3-enamide

2-methyliminobut-3-enamide (PubChem CID 123641945) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 2-methyliminobut-3-enamide.

Molecular Properties

Compound Name2-methyliminobut-3-enamide
PubChem CID123641945
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name2-methyliminobut-3-enamide
SMILESC=C/C(=N\C)C(N)=O
InChIInChI=1S/C5H8N2O/c1-3-4(7-2)5(6)8/h3H,1H2,2H3,(H2,6,8)/b7-4+
InChIKeyOSLDIFUKHCSKBW-QPJJXVBHSA-N
XLogP-0.27
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyliminobut-3-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

But-3-en-2-ylideneurea
CID 90842412
2-Prop-1-enyliminobut-3-enamide
CID 123776340
N-but-3-en-2-ylidenepropanamide
CID 123811078
2-[(Z)-prop-1-enyl]iminobut-3-enamide
CID 126625134
(Z)-2-methyliminopent-3-enamide
CID 126689701
2-Iminobut-3-enamide
CID 135850706
2-Methylazaindigole-5-carboxamide
CID 145729786
4-Amino-2-ethyliminobut-3-enamide
CID 147426933
Ethane;2-ethenyliminobut-3-enamide;molecular hydrogen
CID 153400575
(3Z)-2-methyliminohexa-3,5-dienamide
CID 166785931
(Z)-2,5-diiminohex-3-enamide
CID 167167315
(Z)-4-amino-2-propan-2-yliminobut-3-enamide;molecular hydrogen
CID 168936153

Frequently Asked Questions

What is the IUPAC name of 2-methyliminobut-3-enamide?
The IUPAC name of 2-methyliminobut-3-enamide (CID 123641945) is 2-methyliminobut-3-enamide.
What is the SMILES notation for 2-methyliminobut-3-enamide?
The canonical SMILES for 2-methyliminobut-3-enamide is C=C/C(=N\C)C(N)=O.
What is the InChIKey of 2-methyliminobut-3-enamide?
The InChIKey is OSLDIFUKHCSKBW-QPJJXVBHSA-N. The full InChI is InChI=1S/C5H8N2O/c1-3-4(7-2)5(6)8/h3H,1H2,2H3,(H2,6,8)/b7-4+.
What are the key properties of 2-methyliminobut-3-enamide?
2-methyliminobut-3-enamide has a molecular weight of 112.13 g/mol, XLogP of -0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyliminobut-3-enamide is sourced from PubChem (CID 123641945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).