N-[[1-(chloromethyl)cyclopropyl]methyl]-2-methylcyclopentane-1-carboxamide

C12H20ClNO — CID 107184243

IUPACN-[[1-(chloromethyl)cyclopropyl]methyl]-2-methylcyclopentane-1-carboxamide
SMILESCC1CCCC1C(=O)NCC1(CCl)CC1
InChIInChI=1S/C12H20ClNO/c1-9-3-2-4-10(9)11(15)14-8-12(7-13)5-6-12/h9-10H,2-8H2,1H3,(H,14,15)
InChIKeyVQISRLSMCCLOSO-UHFFFAOYSA-N
MW229.75 g/mol
LogP2.56
Rot. Bonds4

About N-[[1-(chloromethyl)cyclopropyl]methyl]-2-methylcyclopentane-1-carboxamide

N-[[1-(chloromethyl)cyclopropyl]methyl]-2-methylcyclopentane-1-carboxamide (PubChem CID 107184243) has the molecular formula C12H20ClNO and a molecular weight of 229.75 g/mol. Its IUPAC name is N-[[1-(chloromethyl)cyclopropyl]methyl]-2-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(chloromethyl)cyclopropyl]methyl]-2-methylcyclopentane-1-carboxamide
PubChem CID107184243
Molecular FormulaC12H20ClNO
Molecular Weight229.75 g/mol
Exact Mass229.12
IUPAC NameN-[[1-(chloromethyl)cyclopropyl]methyl]-2-methylcyclopentane-1-carboxamide
SMILESCC1CCCC1C(=O)NCC1(CCl)CC1
InChIInChI=1S/C12H20ClNO/c1-9-3-2-4-10(9)11(15)14-8-12(7-13)5-6-12/h9-10H,2-8H2,1H3,(H,14,15)
InChIKeyVQISRLSMCCLOSO-UHFFFAOYSA-N
XLogP2.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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

N-[[1-(chloromethyl)cyclohexyl]methyl]cyclopropanecarboxamide
CID 103969527
N-[[1-(chloromethyl)cyclopropyl]methyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107003299
2-[(2-methylcyclopentanecarbonyl)amino]acetic acid
CID 107175041
2-[[1-(hydroxymethyl)cyclopropyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 115454200
N-[[1-(chloromethyl)cyclopentyl]methyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107184226
N-[4-(chloromethyl)oxan-4-yl]-2-methylcyclopentane-1-carboxamide
CID 106300635
N-[[1-(chloromethyl)cyclohexyl]methyl]-5-methyloxolane-2-carboxamide
CID 103969599
1-[(2-methylcyclopentanecarbonyl)amino]cyclohexane-1-carboxylic acid
CID 107175126
N-[[1-(chloromethyl)cyclopropyl]methyl]-1,1-dioxothiolane-3-carboxamide
CID 115456020
2-amino-N-[(1-ethylcyclopropyl)methyl]cyclohexane-1-carboxamide
CID 103810853
N-(2-amino-2-oxoethyl)-2-methylcyclohexane-1-carboxamide
CID 10420268
2-amino-N-[(1-propylcyclopropyl)methyl]cyclohexane-1-carboxamide
CID 103813071

Frequently Asked Questions

What is the IUPAC name of N-[[1-(chloromethyl)cyclopropyl]methyl]-2-methylcyclopentane-1-carboxamide?
The IUPAC name of N-[[1-(chloromethyl)cyclopropyl]methyl]-2-methylcyclopentane-1-carboxamide (CID 107184243) is N-[[1-(chloromethyl)cyclopropyl]methyl]-2-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-[[1-(chloromethyl)cyclopropyl]methyl]-2-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-[[1-(chloromethyl)cyclopropyl]methyl]-2-methylcyclopentane-1-carboxamide is CC1CCCC1C(=O)NCC1(CCl)CC1.
What is the InChIKey of N-[[1-(chloromethyl)cyclopropyl]methyl]-2-methylcyclopentane-1-carboxamide?
The InChIKey is VQISRLSMCCLOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNO/c1-9-3-2-4-10(9)11(15)14-8-12(7-13)5-6-12/h9-10H,2-8H2,1H3,(H,14,15).
What are the key properties of N-[[1-(chloromethyl)cyclopropyl]methyl]-2-methylcyclopentane-1-carboxamide?
N-[[1-(chloromethyl)cyclopropyl]methyl]-2-methylcyclopentane-1-carboxamide has a molecular weight of 229.75 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(chloromethyl)cyclopropyl]methyl]-2-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 107184243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).