(Z)-3-methyl-4-methyliminobut-2-enamide

C6H10N2O — CID 143260712

IUPAC(Z)-3-methyl-4-methyliminobut-2-enamide
SMILESC/N=C/C(C)=C\C(N)=O
InChIInChI=1S/C6H10N2O/c1-5(4-8-2)3-6(7)9/h3-4H,1-2H3,(H2,7,9)/b5-3-,8-4+
InChIKeyYQGUYKYCSJCNKD-VOGDQUTBSA-N
MW126.16 g/mol
LogP0.12
Rot. Bonds2

About (Z)-3-methyl-4-methyliminobut-2-enamide

(Z)-3-methyl-4-methyliminobut-2-enamide (PubChem CID 143260712) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is (Z)-3-methyl-4-methyliminobut-2-enamide.

Molecular Properties

Compound Name(Z)-3-methyl-4-methyliminobut-2-enamide
PubChem CID143260712
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name(Z)-3-methyl-4-methyliminobut-2-enamide
SMILESC/N=C/C(C)=C\C(N)=O
InChIInChI=1S/C6H10N2O/c1-5(4-8-2)3-6(7)9/h3-4H,1-2H3,(H2,7,9)/b5-3-,8-4+
InChIKeyYQGUYKYCSJCNKD-VOGDQUTBSA-N
XLogP0.12
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-3-methyl-4-methyliminobut-2-enamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-3-methyl-4-methyliminobut-2-enamide?
The IUPAC name of (Z)-3-methyl-4-methyliminobut-2-enamide (CID 143260712) is (Z)-3-methyl-4-methyliminobut-2-enamide.
What is the SMILES notation for (Z)-3-methyl-4-methyliminobut-2-enamide?
The canonical SMILES for (Z)-3-methyl-4-methyliminobut-2-enamide is C/N=C/C(C)=C\C(N)=O.
What is the InChIKey of (Z)-3-methyl-4-methyliminobut-2-enamide?
The InChIKey is YQGUYKYCSJCNKD-VOGDQUTBSA-N. The full InChI is InChI=1S/C6H10N2O/c1-5(4-8-2)3-6(7)9/h3-4H,1-2H3,(H2,7,9)/b5-3-,8-4+.
What are the key properties of (Z)-3-methyl-4-methyliminobut-2-enamide?
(Z)-3-methyl-4-methyliminobut-2-enamide has a molecular weight of 126.16 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methyl-4-methyliminobut-2-enamide is sourced from PubChem (CID 143260712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).