(Z)-4-imino-N,2-dimethylbut-2-enamide

C6H10N2O — CID 145478342

IUPAC(Z)-4-imino-N,2-dimethylbut-2-enamide
SMILES[H]/N=C/C=C(/C)C(=O)NC
InChIInChI=1S/C6H10N2O/c1-5(3-4-7)6(9)8-2/h3-4,7H,1-2H3,(H,8,9)/b5-3-,7-4+
InChIKeyQFARJMSTAYMLNX-XKSOLRDRSA-N
MW126.16 g/mol
LogP0.33
Rot. Bonds2

About (Z)-4-imino-N,2-dimethylbut-2-enamide

(Z)-4-imino-N,2-dimethylbut-2-enamide (PubChem CID 145478342) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is (Z)-4-imino-N,2-dimethylbut-2-enamide.

Molecular Properties

Compound Name(Z)-4-imino-N,2-dimethylbut-2-enamide
PubChem CID145478342
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name(Z)-4-imino-N,2-dimethylbut-2-enamide
SMILES[H]/N=C/C=C(/C)C(=O)NC
InChIInChI=1S/C6H10N2O/c1-5(3-4-7)6(9)8-2/h3-4,7H,1-2H3,(H,8,9)/b5-3-,7-4+
InChIKeyQFARJMSTAYMLNX-XKSOLRDRSA-N
XLogP0.33
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-imino-N,2-dimethylbut-2-enamide?
The IUPAC name of (Z)-4-imino-N,2-dimethylbut-2-enamide (CID 145478342) is (Z)-4-imino-N,2-dimethylbut-2-enamide.
What is the SMILES notation for (Z)-4-imino-N,2-dimethylbut-2-enamide?
The canonical SMILES for (Z)-4-imino-N,2-dimethylbut-2-enamide is [H]/N=C/C=C(/C)C(=O)NC.
What is the InChIKey of (Z)-4-imino-N,2-dimethylbut-2-enamide?
The InChIKey is QFARJMSTAYMLNX-XKSOLRDRSA-N. The full InChI is InChI=1S/C6H10N2O/c1-5(3-4-7)6(9)8-2/h3-4,7H,1-2H3,(H,8,9)/b5-3-,7-4+.
What are the key properties of (Z)-4-imino-N,2-dimethylbut-2-enamide?
(Z)-4-imino-N,2-dimethylbut-2-enamide has a molecular weight of 126.16 g/mol, XLogP of 0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-imino-N,2-dimethylbut-2-enamide is sourced from PubChem (CID 145478342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).