N-[(2-chlorocyclopentyl)methyl]-2,2-dimethylcyclopropane-1-carboxamide

C12H20ClNO — CID 107003247

IUPACN-[(2-chlorocyclopentyl)methyl]-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)NCC1CCCC1Cl
InChIInChI=1S/C12H20ClNO/c1-12(2)6-9(12)11(15)14-7-8-4-3-5-10(8)13/h8-10H,3-7H2,1-2H3,(H,14,15)
InChIKeyZDCDJCFCXQERCA-UHFFFAOYSA-N
MW229.75 g/mol
LogP2.56
Rot. Bonds3

About N-[(2-chlorocyclopentyl)methyl]-2,2-dimethylcyclopropane-1-carboxamide

N-[(2-chlorocyclopentyl)methyl]-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 107003247) has the molecular formula C12H20ClNO and a molecular weight of 229.75 g/mol. Its IUPAC name is N-[(2-chlorocyclopentyl)methyl]-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorocyclopentyl)methyl]-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID107003247
Molecular FormulaC12H20ClNO
Molecular Weight229.75 g/mol
Exact Mass229.12
IUPAC NameN-[(2-chlorocyclopentyl)methyl]-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)NCC1CCCC1Cl
InChIInChI=1S/C12H20ClNO/c1-12(2)6-9(12)11(15)14-7-8-4-3-5-10(8)13/h8-10H,3-7H2,1-2H3,(H,14,15)
InChIKeyZDCDJCFCXQERCA-UHFFFAOYSA-N
XLogP2.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[[(2,2-dimethylcyclopropanecarbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 107000450
(1S)-N-(cyclobutylmethyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 130626986
N-[(2-chlorocyclohexyl)methyl]cyclopentanecarboxamide
CID 114301412
N-[(2-chlorocyclopentyl)methyl]thiolane-2-carboxamide
CID 114303282
N-[(2-chlorocyclopentyl)methyl]-2-methyloxolane-3-carboxamide
CID 114303020
N-[(2-chlorocyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide
CID 113272704
N-[(2-chlorocyclopentyl)methyl]-1-(2-methylpropyl)cyclopentane-1-carboxamide
CID 113272943
N-[[2-(bromomethyl)cyclohexyl]methyl]-2,2-dimethylcyclohexane-1-carboxamide
CID 107184222
N-[(2-chlorocyclohexyl)methyl]-1,1-dioxothiolane-3-carboxamide
CID 113272694
N-[[2-(hydroxymethyl)cyclopentyl]methyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 66478079
N-[[1-(chloromethyl)cyclopropyl]methyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107003299
N-[(2-chlorocyclopentyl)methyl]-4,5-dimethylthiophene-2-carboxamide
CID 114303260

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorocyclopentyl)methyl]-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of N-[(2-chlorocyclopentyl)methyl]-2,2-dimethylcyclopropane-1-carboxamide (CID 107003247) is N-[(2-chlorocyclopentyl)methyl]-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(2-chlorocyclopentyl)methyl]-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(2-chlorocyclopentyl)methyl]-2,2-dimethylcyclopropane-1-carboxamide is CC1(C)CC1C(=O)NCC1CCCC1Cl.
What is the InChIKey of N-[(2-chlorocyclopentyl)methyl]-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is ZDCDJCFCXQERCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNO/c1-12(2)6-9(12)11(15)14-7-8-4-3-5-10(8)13/h8-10H,3-7H2,1-2H3,(H,14,15).
What are the key properties of N-[(2-chlorocyclopentyl)methyl]-2,2-dimethylcyclopropane-1-carboxamide?
N-[(2-chlorocyclopentyl)methyl]-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 229.75 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorocyclopentyl)methyl]-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 107003247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).