(4Z)-N-(3-methylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide

C17H21NO — CID 5285511

IUPAC(4Z)-N-(3-methylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
SMILESCc1cccc(NC(=O)C2C3CC/C=C\CCC32)c1
InChIInChI=1S/C17H21NO/c1-12-7-6-8-13(11-12)18-17(19)16-14-9-4-2-3-5-10-15(14)16/h2-3,6-8,11,14-16H,4-5,9-10H2,1H3,(H,18,19)/b3-2-
InChIKeyLSADUGVIPYIOCK-IHWYPQMZSA-N
MW255.36 g/mol
LogP3.93
Rot. Bonds2

About (4Z)-N-(3-methylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide

(4Z)-N-(3-methylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide (PubChem CID 5285511) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is (4Z)-N-(3-methylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide.

Molecular Properties

Compound Name(4Z)-N-(3-methylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
PubChem CID5285511
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name(4Z)-N-(3-methylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
SMILESCc1cccc(NC(=O)C2C3CC/C=C\CCC32)c1
InChIInChI=1S/C17H21NO/c1-12-7-6-8-13(11-12)18-17(19)16-14-9-4-2-3-5-10-15(14)16/h2-3,6-8,11,14-16H,4-5,9-10H2,1H3,(H,18,19)/b3-2-
InChIKeyLSADUGVIPYIOCK-IHWYPQMZSA-N
XLogP3.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4Z,8E)-N-(3-bromophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 11836641
(1S,12R)-N-(3-acetylphenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 848278
N-(3-acetylphenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 5061534
(1S,12R)-N-(3-chlorophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 880928
(1S,4Z,8E,12S)-N-(4-methylphenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 7500029
N-[3-(trifluoromethyl)phenyl]bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 2856990
(1R,4Z,8R)-N-(3-nitrophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 5390129
2-N,3-N-bis(3-methylphenyl)bicyclo[2.2.1]hept-5-ene-2,3-dicarboxamide
CID 3104582
(1R,4Z,8R)-N-(3-chloro-4-methylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 5412789
(1S,4Z,8E,12R)-N-(3-nitrophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 7719959
4-N-(3,5-dimethylphenyl)-1-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150418
(1S,8S)-N-(4-bromophenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 950516

Frequently Asked Questions

What is the IUPAC name of (4Z)-N-(3-methylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide?
The IUPAC name of (4Z)-N-(3-methylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide (CID 5285511) is (4Z)-N-(3-methylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide.
What is the SMILES notation for (4Z)-N-(3-methylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide?
The canonical SMILES for (4Z)-N-(3-methylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide is Cc1cccc(NC(=O)C2C3CC/C=C\CCC32)c1.
What is the InChIKey of (4Z)-N-(3-methylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide?
The InChIKey is LSADUGVIPYIOCK-IHWYPQMZSA-N. The full InChI is InChI=1S/C17H21NO/c1-12-7-6-8-13(11-12)18-17(19)16-14-9-4-2-3-5-10-15(14)16/h2-3,6-8,11,14-16H,4-5,9-10H2,1H3,(H,18,19)/b3-2-.
What are the key properties of (4Z)-N-(3-methylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide?
(4Z)-N-(3-methylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide has a molecular weight of 255.36 g/mol, XLogP of 3.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-N-(3-methylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide is sourced from PubChem (CID 5285511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).