(E)-3-(dimethylamino)-N,2-diformylprop-2-enamide

C7H10N2O3 — CID 42644716

IUPAC(E)-3-(dimethylamino)-N,2-diformylprop-2-enamide
SMILESCN(C)/C=C(\C=O)C(=O)NC=O
InChIInChI=1S/C7H10N2O3/c1-9(2)3-6(4-10)7(12)8-5-11/h3-5H,1-2H3,(H,8,11,12)/b6-3+
InChIKeyJKPMVRAEOJPKEZ-ZZXKWVIFSA-N
MW170.17 g/mol
LogP-1.10
Rot. Bonds4

About (E)-3-(dimethylamino)-N,2-diformylprop-2-enamide

(E)-3-(dimethylamino)-N,2-diformylprop-2-enamide (PubChem CID 42644716) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is (E)-3-(dimethylamino)-N,2-diformylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(dimethylamino)-N,2-diformylprop-2-enamide
PubChem CID42644716
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name(E)-3-(dimethylamino)-N,2-diformylprop-2-enamide
SMILESCN(C)/C=C(\C=O)C(=O)NC=O
InChIInChI=1S/C7H10N2O3/c1-9(2)3-6(4-10)7(12)8-5-11/h3-5H,1-2H3,(H,8,11,12)/b6-3+
InChIKeyJKPMVRAEOJPKEZ-ZZXKWVIFSA-N
XLogP-1.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-1.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze (E)-3-(dimethylamino)-N,2-diformylprop-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 (E)-3-(dimethylamino)-N,2-diformylprop-2-enamide?
The IUPAC name of (E)-3-(dimethylamino)-N,2-diformylprop-2-enamide (CID 42644716) is (E)-3-(dimethylamino)-N,2-diformylprop-2-enamide.
What is the SMILES notation for (E)-3-(dimethylamino)-N,2-diformylprop-2-enamide?
The canonical SMILES for (E)-3-(dimethylamino)-N,2-diformylprop-2-enamide is CN(C)/C=C(\C=O)C(=O)NC=O.
What is the InChIKey of (E)-3-(dimethylamino)-N,2-diformylprop-2-enamide?
The InChIKey is JKPMVRAEOJPKEZ-ZZXKWVIFSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-9(2)3-6(4-10)7(12)8-5-11/h3-5H,1-2H3,(H,8,11,12)/b6-3+.
What are the key properties of (E)-3-(dimethylamino)-N,2-diformylprop-2-enamide?
(E)-3-(dimethylamino)-N,2-diformylprop-2-enamide has a molecular weight of 170.17 g/mol, XLogP of -1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(dimethylamino)-N,2-diformylprop-2-enamide is sourced from PubChem (CID 42644716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).