N-(4-methoxyphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide

C17H21NO2 — CID 2832429

IUPACN-(4-methoxyphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
SMILESCOc1ccc(NC(=O)C2C3CCC=CCCC32)cc1
InChIInChI=1S/C17H21NO2/c1-20-13-10-8-12(9-11-13)18-17(19)16-14-6-4-2-3-5-7-15(14)16/h2-3,8-11,14-16H,4-7H2,1H3,(H,18,19)
InChIKeyIMMWUAGAFWRTBP-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.63
Rot. Bonds3

About N-(4-methoxyphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide

N-(4-methoxyphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide (PubChem CID 2832429) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(4-methoxyphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
PubChem CID2832429
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC NameN-(4-methoxyphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
SMILESCOc1ccc(NC(=O)C2C3CCC=CCCC32)cc1
InChIInChI=1S/C17H21NO2/c1-20-13-10-8-12(9-11-13)18-17(19)16-14-6-4-2-3-5-7-15(14)16/h2-3,8-11,14-16H,4-7H2,1H3,(H,18,19)
InChIKeyIMMWUAGAFWRTBP-UHFFFAOYSA-N
XLogP3.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-methoxyphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide 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

(1R,4Z,8R)-N-(4-ethoxyphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 5424959
(1S,4S,6S,9R)-10,10-dichloro-N-(4-methoxyphenyl)tricyclo[7.1.0.04,6]decane-5-carboxamide
CID 6978027
(1S,4Z,8E,12S)-N-(4-methylphenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 7500029
N-(4-acetylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 556295
(1R,4Z,8S)-N-(4-acetylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 5392550
(1R,4Z,8R)-N-(4-acetylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 5392551
(1S,4Z,8S)-N-(4-fluorophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 5415413
(1R,4Z,8E,12S)-N-(4-chlorophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 7720013
(1R,4Z,8E,12R)-N-(4-iodophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 11891872
(1S,2R,4R,5S)-N-(4-methoxyphenyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 98237630
N-(4-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 816577
(1S,2S,4R,5S,6R,7R)-7-[(4-methoxyphenyl)carbamoyl]tricyclo[3.2.2.02,4]non-8-ene-6-carboxylic acid
CID 124775757

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide (CID 2832429) is N-(4-methoxyphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide is COc1ccc(NC(=O)C2C3CCC=CCCC32)cc1.
What is the InChIKey of N-(4-methoxyphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide?
The InChIKey is IMMWUAGAFWRTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2/c1-20-13-10-8-12(9-11-13)18-17(19)16-14-6-4-2-3-5-7-15(14)16/h2-3,8-11,14-16H,4-7H2,1H3,(H,18,19).
What are the key properties of N-(4-methoxyphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide?
N-(4-methoxyphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide is sourced from PubChem (CID 2832429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).