(1R,4Z,8R)-N-(3-chloro-4-methylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide

C17H20ClNO — CID 5412789

IUPAC(1R,4Z,8R)-N-(3-chloro-4-methylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
SMILESCc1ccc(NC(=O)C2[C@@H]3CC/C=C\CC[C@@H]23)cc1Cl
InChIInChI=1S/C17H20ClNO/c1-11-8-9-12(10-15(11)18)19-17(20)16-13-6-4-2-3-5-7-14(13)16/h2-3,8-10,13-14,16H,4-7H2,1H3,(H,19,20)/b3-2-/t13-,14-/m1/s1
InChIKeyCJWFIZGMZALGLI-DTSKHDKYSA-N
MW289.81 g/mol
LogP4.58
Rot. Bonds2

About (1R,4Z,8R)-N-(3-chloro-4-methylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide

(1R,4Z,8R)-N-(3-chloro-4-methylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide (PubChem CID 5412789) has the molecular formula C17H20ClNO and a molecular weight of 289.81 g/mol. Its IUPAC name is (1R,4Z,8R)-N-(3-chloro-4-methylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide.

Molecular Properties

Compound Name(1R,4Z,8R)-N-(3-chloro-4-methylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
PubChem CID5412789
Molecular FormulaC17H20ClNO
Molecular Weight289.81 g/mol
Exact Mass289.12
IUPAC Name(1R,4Z,8R)-N-(3-chloro-4-methylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
SMILESCc1ccc(NC(=O)C2[C@@H]3CC/C=C\CC[C@@H]23)cc1Cl
InChIInChI=1S/C17H20ClNO/c1-11-8-9-12(10-15(11)18)19-17(20)16-13-6-4-2-3-5-7-14(13)16/h2-3,8-10,13-14,16H,4-7H2,1H3,(H,19,20)/b3-2-/t13-,14-/m1/s1
InChIKeyCJWFIZGMZALGLI-DTSKHDKYSA-N
XLogP4.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.81
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1R,4Z,8R)-N-(3-chloro-4-methylphenyl)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

(1S,4Z,8E,12S)-N-(4-methylphenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 7500029
(1R,4Z,8E,12S)-N-(4-chlorophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 7720013
(1S,2S,3R,4R)-3-[(3-chloro-4-methylphenyl)carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 110190846
(4Z)-N-(3-methylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 5285511
(1S,12R)-N-(3-chlorophenyl)bicyclo[10.1.0]trideca-4,8-diene-13-carboxamide
CID 880928
(1S,2S,3R,4R)-3-[(3-chloro-4-methylphenyl)carbamoyl]-7-propan-2-ylidenebicyclo[2.2.1]heptane-2-carboxylic acid
CID 11906880
(1S,2R,3R,4S)-3-[(3-chloro-4-methylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 98140520
(1R,2R,3R,4S)-3-[(3-chloro-4-methylphenyl)carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 18557832
(1S,2S,4S,5R,6S,7S)-7-[(3-chloro-4-methylphenyl)carbamoyl]tricyclo[3.2.2.02,4]non-8-ene-6-carboxylic acid
CID 98269766
3-amino-N-(3-chloro-4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119671159
(1R,2S,3S,4R)-3-[(3-chloro-4-methylphenyl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98292039
(1S,6R)-N-[3-[[(1R,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-4-methylphenyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 1113205

Frequently Asked Questions

What is the IUPAC name of (1R,4Z,8R)-N-(3-chloro-4-methylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide?
The IUPAC name of (1R,4Z,8R)-N-(3-chloro-4-methylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide (CID 5412789) is (1R,4Z,8R)-N-(3-chloro-4-methylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide.
What is the SMILES notation for (1R,4Z,8R)-N-(3-chloro-4-methylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide?
The canonical SMILES for (1R,4Z,8R)-N-(3-chloro-4-methylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide is Cc1ccc(NC(=O)C2[C@@H]3CC/C=C\CC[C@@H]23)cc1Cl.
What is the InChIKey of (1R,4Z,8R)-N-(3-chloro-4-methylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide?
The InChIKey is CJWFIZGMZALGLI-DTSKHDKYSA-N. The full InChI is InChI=1S/C17H20ClNO/c1-11-8-9-12(10-15(11)18)19-17(20)16-13-6-4-2-3-5-7-14(13)16/h2-3,8-10,13-14,16H,4-7H2,1H3,(H,19,20)/b3-2-/t13-,14-/m1/s1.
What are the key properties of (1R,4Z,8R)-N-(3-chloro-4-methylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide?
(1R,4Z,8R)-N-(3-chloro-4-methylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide has a molecular weight of 289.81 g/mol, XLogP of 4.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4Z,8R)-N-(3-chloro-4-methylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide is sourced from PubChem (CID 5412789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).