N-prop-2-enoylnona-2,3-dienamide

C12H17NO2 — CID 176543115

IUPACN-prop-2-enoylnona-2,3-dienamide
SMILESC=CC(=O)NC(=O)C=C=CCCCCC
InChIInChI=1S/C12H17NO2/c1-3-5-6-7-8-9-10-12(15)13-11(14)4-2/h4,8,10H,2-3,5-7H2,1H3,(H,13,14,15)
InChIKeyIYKPPQILTQOLKT-UHFFFAOYSA-N
MW207.27 g/mol
LogP2.11
Rot. Bonds6

About N-prop-2-enoylnona-2,3-dienamide

N-prop-2-enoylnona-2,3-dienamide (PubChem CID 176543115) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-prop-2-enoylnona-2,3-dienamide.

Molecular Properties

Compound NameN-prop-2-enoylnona-2,3-dienamide
PubChem CID176543115
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-prop-2-enoylnona-2,3-dienamide
SMILESC=CC(=O)NC(=O)C=C=CCCCCC
InChIInChI=1S/C12H17NO2/c1-3-5-6-7-8-9-10-12(15)13-11(14)4-2/h4,8,10H,2-3,5-7H2,1H3,(H,13,14,15)
InChIKeyIYKPPQILTQOLKT-UHFFFAOYSA-N
XLogP2.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-prop-2-enoylnona-2,3-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

N-prop-2-enoyloctadec-9-enamide
CID 173156357
nona-2,3-dienylcarbamoyl prop-2-enoate
CID 141295889
dimethyl 2-nona-2,3-dienyl-2-prop-2-enylpropanedioate
CID 11415174
pentacosa-12,13-diene
CID 174365678
bis(dec-1-ene);nonadeca-9,10-diene
CID 91436837
N-dec-1-enylprop-2-enamide
CID 90744520
N-prop-2-enoylbuta-2,3-dienamide
CID 87127669
pentadeca-1,4,5-triene
CID 174394424
octadeca-5,6-diene
CID 141110817
2,2-dimethyldeca-4,5-dien-3-one
CID 121007904
N-[(Z)-nonadec-10-enyl]prop-2-enamide
CID 87771405
N-benzylocta-2,3-dienamide
CID 10998784

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enoylnona-2,3-dienamide?
The IUPAC name of N-prop-2-enoylnona-2,3-dienamide (CID 176543115) is N-prop-2-enoylnona-2,3-dienamide.
What is the SMILES notation for N-prop-2-enoylnona-2,3-dienamide?
The canonical SMILES for N-prop-2-enoylnona-2,3-dienamide is C=CC(=O)NC(=O)C=C=CCCCCC.
What is the InChIKey of N-prop-2-enoylnona-2,3-dienamide?
The InChIKey is IYKPPQILTQOLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-3-5-6-7-8-9-10-12(15)13-11(14)4-2/h4,8,10H,2-3,5-7H2,1H3,(H,13,14,15).
What are the key properties of N-prop-2-enoylnona-2,3-dienamide?
N-prop-2-enoylnona-2,3-dienamide has a molecular weight of 207.27 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enoylnona-2,3-dienamide is sourced from PubChem (CID 176543115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).