N-cyclohexa-1,5-dien-1-ylprop-2-enamide;molecular hydrogen

C9H13NO — CID 177135488

IUPACN-cyclohexa-1,5-dien-1-ylprop-2-enamide;molecular hydrogen
SMILESC=CC(=O)NC1=CCCC=C1.[H][H]
InChIInChI=1S/C9H11NO.H2/c1-2-9(11)10-8-6-4-3-5-7-8;/h2,4,6-7H,1,3,5H2,(H,10,11);1H
InChIKeyRNRSRRRLJOQHBZ-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.77
Rot. Bonds2

About N-cyclohexa-1,5-dien-1-ylprop-2-enamide;molecular hydrogen

N-cyclohexa-1,5-dien-1-ylprop-2-enamide;molecular hydrogen (PubChem CID 177135488) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is N-cyclohexa-1,5-dien-1-ylprop-2-enamide;molecular hydrogen.

Molecular Properties

Compound NameN-cyclohexa-1,5-dien-1-ylprop-2-enamide;molecular hydrogen
PubChem CID177135488
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC NameN-cyclohexa-1,5-dien-1-ylprop-2-enamide;molecular hydrogen
SMILESC=CC(=O)NC1=CCCC=C1.[H][H]
InChIInChI=1S/C9H11NO.H2/c1-2-9(11)10-8-6-4-3-5-7-8;/h2,4,6-7H,1,3,5H2,(H,10,11);1H
InChIKeyRNRSRRRLJOQHBZ-UHFFFAOYSA-N
XLogP1.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-cyclohexa-1,5-dien-1-ylprop-2-enamide;molecular hydrogen 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-cyclohexa-1,5-dien-1-yl-2-methylprop-2-enamide;molecular hydrogen
CID 144596584
methyl N-cyclohexa-1,5-dien-1-ylcarbamate
CID 145077973
1-cyclohexa-1,5-dien-1-yl-3-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]urea
CID 142994053
N'-cyclohexa-1,5-dien-1-yl-N-methylpropanediamide
CID 143768709
N-(2-aminocyclohexa-1,5-dien-1-yl)prop-2-enamide
CID 144831896
N-(cyclopenten-1-yl)prop-2-enamide
CID 130013506
3-cyclohexa-1,5-dien-1-yl-1-cyclopentyl-1-methylurea
CID 163658126
5-N-cyclohexa-1,5-dien-1-yl-1-N,3-N-diphenylbenzene-1,3,5-tricarboxamide
CID 144544325
N-(2,6-dibromophenyl)prop-2-enamide
CID 107598601
N-ethylcyclohexa-1,5-dien-1-amine
CID 18448807
1-(2-cyclohexa-1,5-dien-1-ylethyl)-3-[(3Z)-3-ethenylhexa-3,5-dienyl]urea;ethane;methanamine
CID 144937648
1-(3-cyclohexa-1,5-dien-1-ylpropyl)-3-[(3Z)-3-(dimethylaminomethylidene)pent-4-enyl]urea
CID 138460584

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,5-dien-1-ylprop-2-enamide;molecular hydrogen?
The IUPAC name of N-cyclohexa-1,5-dien-1-ylprop-2-enamide;molecular hydrogen (CID 177135488) is N-cyclohexa-1,5-dien-1-ylprop-2-enamide;molecular hydrogen.
What is the SMILES notation for N-cyclohexa-1,5-dien-1-ylprop-2-enamide;molecular hydrogen?
The canonical SMILES for N-cyclohexa-1,5-dien-1-ylprop-2-enamide;molecular hydrogen is C=CC(=O)NC1=CCCC=C1.[H][H].
What is the InChIKey of N-cyclohexa-1,5-dien-1-ylprop-2-enamide;molecular hydrogen?
The InChIKey is RNRSRRRLJOQHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO.H2/c1-2-9(11)10-8-6-4-3-5-7-8;/h2,4,6-7H,1,3,5H2,(H,10,11);1H.
What are the key properties of N-cyclohexa-1,5-dien-1-ylprop-2-enamide;molecular hydrogen?
N-cyclohexa-1,5-dien-1-ylprop-2-enamide;molecular hydrogen has a molecular weight of 151.21 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,5-dien-1-ylprop-2-enamide;molecular hydrogen is sourced from PubChem (CID 177135488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).