N-(4-chloropentyl)bicyclo[3.1.0]hexane-3-carboxamide

C12H20ClNO — CID 106129275

IUPACN-(4-chloropentyl)bicyclo[3.1.0]hexane-3-carboxamide
SMILESCC(Cl)CCCNC(=O)C1CC2CC2C1
InChIInChI=1S/C12H20ClNO/c1-8(13)3-2-4-14-12(15)11-6-9-5-10(9)7-11/h8-11H,2-7H2,1H3,(H,14,15)
InChIKeyFMICHLYRIOWFLY-UHFFFAOYSA-N
MW229.75 g/mol
LogP2.56
Rot. Bonds5

About N-(4-chloropentyl)bicyclo[3.1.0]hexane-3-carboxamide

N-(4-chloropentyl)bicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 106129275) has the molecular formula C12H20ClNO and a molecular weight of 229.75 g/mol. Its IUPAC name is N-(4-chloropentyl)bicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloropentyl)bicyclo[3.1.0]hexane-3-carboxamide
PubChem CID106129275
Molecular FormulaC12H20ClNO
Molecular Weight229.75 g/mol
Exact Mass229.12
IUPAC NameN-(4-chloropentyl)bicyclo[3.1.0]hexane-3-carboxamide
SMILESCC(Cl)CCCNC(=O)C1CC2CC2C1
InChIInChI=1S/C12H20ClNO/c1-8(13)3-2-4-14-12(15)11-6-9-5-10(9)7-11/h8-11H,2-7H2,1H3,(H,14,15)
InChIKeyFMICHLYRIOWFLY-UHFFFAOYSA-N
XLogP2.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.75
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(4-chloropentyl)-5-methyloxolane-3-carboxamide
CID 106129813
N-(4-hydroxybutyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 106843014
3-amino-N-(4-methylpentyl)cyclobutane-1-carboxamide
CID 115161643
N-(4-chloropentyl)-2-cyclopropylpropanamide
CID 106129419
N-(4,4,4-trifluorobutyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 115522404
N-(2-bromopropyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 114308880
N-(3-cyclopentylpropyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 106015861
N-(4-chloropentyl)-3-methylbutanamide
CID 106129611
3-(4-methylpentylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103550480
N-(3-chlorobutyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 114301869
N-(4-chloropentyl)-3-cyclopentylpropanamide
CID 106129653
N-(4-hydroxypentyl)-4-methylcyclohexane-1-carboxamide
CID 107300527

Frequently Asked Questions

What is the IUPAC name of N-(4-chloropentyl)bicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of N-(4-chloropentyl)bicyclo[3.1.0]hexane-3-carboxamide (CID 106129275) is N-(4-chloropentyl)bicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for N-(4-chloropentyl)bicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for N-(4-chloropentyl)bicyclo[3.1.0]hexane-3-carboxamide is CC(Cl)CCCNC(=O)C1CC2CC2C1.
What is the InChIKey of N-(4-chloropentyl)bicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is FMICHLYRIOWFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNO/c1-8(13)3-2-4-14-12(15)11-6-9-5-10(9)7-11/h8-11H,2-7H2,1H3,(H,14,15).
What are the key properties of N-(4-chloropentyl)bicyclo[3.1.0]hexane-3-carboxamide?
N-(4-chloropentyl)bicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 229.75 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloropentyl)bicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 106129275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).