(Z)-N-[(Z)-ethylideneamino]-N-methylbut-2-enamide

C7H12N2O — CID 130469747

IUPAC(Z)-N-[(Z)-ethylideneamino]-N-methylbut-2-enamide
SMILESC/C=C\C(=O)N(C)/N=C\C
InChIInChI=1S/C7H12N2O/c1-4-6-7(10)9(3)8-5-2/h4-6H,1-3H3/b6-4-,8-5-
InChIKeyUGTFFFIDRSYDQT-VXWIUBPCSA-N
MW140.19 g/mol
LogP1.03
Rot. Bonds2

About (Z)-N-[(Z)-ethylideneamino]-N-methylbut-2-enamide

(Z)-N-[(Z)-ethylideneamino]-N-methylbut-2-enamide (PubChem CID 130469747) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is (Z)-N-[(Z)-ethylideneamino]-N-methylbut-2-enamide.

Molecular Properties

Compound Name(Z)-N-[(Z)-ethylideneamino]-N-methylbut-2-enamide
PubChem CID130469747
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name(Z)-N-[(Z)-ethylideneamino]-N-methylbut-2-enamide
SMILESC/C=C\C(=O)N(C)/N=C\C
InChIInChI=1S/C7H12N2O/c1-4-6-7(10)9(3)8-5-2/h4-6H,1-3H3/b6-4-,8-5-
InChIKeyUGTFFFIDRSYDQT-VXWIUBPCSA-N
XLogP1.03
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-N-[(Z)-ethylideneamino]-N-methylbut-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)-N-[(Z)-ethylideneamino]-N-methylbut-2-enamide?
The IUPAC name of (Z)-N-[(Z)-ethylideneamino]-N-methylbut-2-enamide (CID 130469747) is (Z)-N-[(Z)-ethylideneamino]-N-methylbut-2-enamide.
What is the SMILES notation for (Z)-N-[(Z)-ethylideneamino]-N-methylbut-2-enamide?
The canonical SMILES for (Z)-N-[(Z)-ethylideneamino]-N-methylbut-2-enamide is C/C=C\C(=O)N(C)/N=C\C.
What is the InChIKey of (Z)-N-[(Z)-ethylideneamino]-N-methylbut-2-enamide?
The InChIKey is UGTFFFIDRSYDQT-VXWIUBPCSA-N. The full InChI is InChI=1S/C7H12N2O/c1-4-6-7(10)9(3)8-5-2/h4-6H,1-3H3/b6-4-,8-5-.
What are the key properties of (Z)-N-[(Z)-ethylideneamino]-N-methylbut-2-enamide?
(Z)-N-[(Z)-ethylideneamino]-N-methylbut-2-enamide has a molecular weight of 140.19 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(Z)-ethylideneamino]-N-methylbut-2-enamide is sourced from PubChem (CID 130469747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).