N-methylidene-4-oxo-3-prop-2-enoylhexa-2,5-dienamide

C10H9NO3 — CID 142712823

IUPACN-methylidene-4-oxo-3-prop-2-enoylhexa-2,5-dienamide
SMILESC=CC(=O)C(=CC(=O)N=C)C(=O)C=C
InChIInChI=1S/C10H9NO3/c1-4-8(12)7(9(13)5-2)6-10(14)11-3/h4-6H,1-3H2
InChIKeyNLVOGJDSHDSUGN-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.65
Rot. Bonds5

About N-methylidene-4-oxo-3-prop-2-enoylhexa-2,5-dienamide

N-methylidene-4-oxo-3-prop-2-enoylhexa-2,5-dienamide (PubChem CID 142712823) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is N-methylidene-4-oxo-3-prop-2-enoylhexa-2,5-dienamide.

Molecular Properties

Compound NameN-methylidene-4-oxo-3-prop-2-enoylhexa-2,5-dienamide
PubChem CID142712823
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC NameN-methylidene-4-oxo-3-prop-2-enoylhexa-2,5-dienamide
SMILESC=CC(=O)C(=CC(=O)N=C)C(=O)C=C
InChIInChI=1S/C10H9NO3/c1-4-8(12)7(9(13)5-2)6-10(14)11-3/h4-6H,1-3H2
InChIKeyNLVOGJDSHDSUGN-UHFFFAOYSA-N
XLogP0.65
TPSA63.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze N-methylidene-4-oxo-3-prop-2-enoylhexa-2,5-dienamide 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

(1E)-2-methyl-1-(methylideneamino)penta-1,4-dien-3-one
CID 118428989
1,1,1-trifluoropent-4-ene-2,3-dione
CID 152536588
azane;prop-2-enoyl fluoride
CID 175429328
2-oxobut-3-enoyl isocyanate
CID 54312002
hypochlorous acid;prop-2-enoyl fluoride
CID 175192518
hexakis(carbonofluoridic acid);prop-2-enoic acid
CID 175140796
azane;2-methylpenta-1,4-dien-3-one;hydrochloride
CID 174999839
(methylideneamino) prop-2-enoate
CID 141313735
(Z)-5,5,5-trifluoro-4-(methylideneamino)pent-3-en-2-one
CID 90918047
N-[(1Z)-3-bromo-1-(methylideneamino)buta-1,3-dienyl]prop-2-enamide
CID 169108486
sodium;acetic acid;prop-2-enoic acid
CID 157405919
nitrous acid;prop-2-enoic acid
CID 87769222

Frequently Asked Questions

What is the IUPAC name of N-methylidene-4-oxo-3-prop-2-enoylhexa-2,5-dienamide?
The IUPAC name of N-methylidene-4-oxo-3-prop-2-enoylhexa-2,5-dienamide (CID 142712823) is N-methylidene-4-oxo-3-prop-2-enoylhexa-2,5-dienamide.
What is the SMILES notation for N-methylidene-4-oxo-3-prop-2-enoylhexa-2,5-dienamide?
The canonical SMILES for N-methylidene-4-oxo-3-prop-2-enoylhexa-2,5-dienamide is C=CC(=O)C(=CC(=O)N=C)C(=O)C=C.
What is the InChIKey of N-methylidene-4-oxo-3-prop-2-enoylhexa-2,5-dienamide?
The InChIKey is NLVOGJDSHDSUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-4-8(12)7(9(13)5-2)6-10(14)11-3/h4-6H,1-3H2.
What are the key properties of N-methylidene-4-oxo-3-prop-2-enoylhexa-2,5-dienamide?
N-methylidene-4-oxo-3-prop-2-enoylhexa-2,5-dienamide has a molecular weight of 191.19 g/mol, XLogP of 0.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylidene-4-oxo-3-prop-2-enoylhexa-2,5-dienamide is sourced from PubChem (CID 142712823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).