N-(2-chlorocyclopentyl)bicyclo[3.1.0]hexane-6-carboxamide

C12H18ClNO — CID 106443809

IUPACN-(2-chlorocyclopentyl)bicyclo[3.1.0]hexane-6-carboxamide
SMILESO=C(NC1CCCC1Cl)C1C2CCCC21
InChIInChI=1S/C12H18ClNO/c13-9-5-2-6-10(9)14-12(15)11-7-3-1-4-8(7)11/h7-11H,1-6H2,(H,14,15)
InChIKeyXBXWRISDRWXETM-UHFFFAOYSA-N
MW227.73 g/mol
LogP2.31
Rot. Bonds2

About N-(2-chlorocyclopentyl)bicyclo[3.1.0]hexane-6-carboxamide

N-(2-chlorocyclopentyl)bicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 106443809) has the molecular formula C12H18ClNO and a molecular weight of 227.73 g/mol. Its IUPAC name is N-(2-chlorocyclopentyl)bicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound NameN-(2-chlorocyclopentyl)bicyclo[3.1.0]hexane-6-carboxamide
PubChem CID106443809
Molecular FormulaC12H18ClNO
Molecular Weight227.73 g/mol
Exact Mass227.11
IUPAC NameN-(2-chlorocyclopentyl)bicyclo[3.1.0]hexane-6-carboxamide
SMILESO=C(NC1CCCC1Cl)C1C2CCCC21
InChIInChI=1S/C12H18ClNO/c13-9-5-2-6-10(9)14-12(15)11-7-3-1-4-8(7)11/h7-11H,1-6H2,(H,14,15)
InChIKeyXBXWRISDRWXETM-UHFFFAOYSA-N
XLogP2.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.73
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-chlorocyclopentyl)bicyclo[3.1.0]hexane-6-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

N-(2-chlorocyclohexyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 114301118
N-(2-chlorocyclopentyl)adamantane-2-carboxamide
CID 106443807
N-(2-chlorocyclopentyl)tricyclo[3.2.1.02,4]octane-3-carboxamide
CID 106444042
N-cyclohexylbicyclo[3.1.0]hexane-6-carboxamide
CID 79600191
N-[(2R)-2-chlorocyclohexyl]acetamide
CID 18526491
N-(2-chlorocyclopentyl)-1,1-dioxothiolane-3-carboxamide
CID 106443963
N-(4-bromooxolan-3-yl)bicyclo[3.1.0]hexane-6-carboxamide
CID 130688420
N-(2-chlorocyclohexyl)-1,1-dioxothiane-2-carboxamide
CID 113422495
N-(3-methylpiperidin-4-yl)bicyclo[3.1.0]hexane-6-carboxamide
CID 120556652
N-(4-aminocyclohexyl)bicyclo[3.1.0]hexane-6-carboxamide
CID 81478190
N-(2-chlorocyclopentyl)-3-cyclopentylpropanamide
CID 106444163
3-chloro-N-[(2S)-2-chlorocyclohexyl]propanamide
CID 18526970

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocyclopentyl)bicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of N-(2-chlorocyclopentyl)bicyclo[3.1.0]hexane-6-carboxamide (CID 106443809) is N-(2-chlorocyclopentyl)bicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for N-(2-chlorocyclopentyl)bicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for N-(2-chlorocyclopentyl)bicyclo[3.1.0]hexane-6-carboxamide is O=C(NC1CCCC1Cl)C1C2CCCC21.
What is the InChIKey of N-(2-chlorocyclopentyl)bicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is XBXWRISDRWXETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO/c13-9-5-2-6-10(9)14-12(15)11-7-3-1-4-8(7)11/h7-11H,1-6H2,(H,14,15).
What are the key properties of N-(2-chlorocyclopentyl)bicyclo[3.1.0]hexane-6-carboxamide?
N-(2-chlorocyclopentyl)bicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 227.73 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocyclopentyl)bicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 106443809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).