N-[[2-(chloromethyl)cyclopentyl]methyl]-5-methyloxolane-3-carboxamide

C13H22ClNO2 — CID 114823255

IUPACN-[[2-(chloromethyl)cyclopentyl]methyl]-5-methyloxolane-3-carboxamide
SMILESCC1CC(C(=O)NCC2CCCC2CCl)CO1
InChIInChI=1S/C13H22ClNO2/c1-9-5-12(8-17-9)13(16)15-7-11-4-2-3-10(11)6-14/h9-12H,2-8H2,1H3,(H,15,16)
InChIKeyHTECDLJGFUSYEG-UHFFFAOYSA-N
MW259.78 g/mol
LogP2.18
Rot. Bonds4

About N-[[2-(chloromethyl)cyclopentyl]methyl]-5-methyloxolane-3-carboxamide

N-[[2-(chloromethyl)cyclopentyl]methyl]-5-methyloxolane-3-carboxamide (PubChem CID 114823255) has the molecular formula C13H22ClNO2 and a molecular weight of 259.78 g/mol. Its IUPAC name is N-[[2-(chloromethyl)cyclopentyl]methyl]-5-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(chloromethyl)cyclopentyl]methyl]-5-methyloxolane-3-carboxamide
PubChem CID114823255
Molecular FormulaC13H22ClNO2
Molecular Weight259.78 g/mol
Exact Mass259.13
IUPAC NameN-[[2-(chloromethyl)cyclopentyl]methyl]-5-methyloxolane-3-carboxamide
SMILESCC1CC(C(=O)NCC2CCCC2CCl)CO1
InChIInChI=1S/C13H22ClNO2/c1-9-5-12(8-17-9)13(16)15-7-11-4-2-3-10(11)6-14/h9-12H,2-8H2,1H3,(H,15,16)
InChIKeyHTECDLJGFUSYEG-UHFFFAOYSA-N
XLogP2.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-aminocyclohexyl)methyl]-5-methyloxolane-3-carboxamide
CID 114146486
N-[(3-chlorocyclopentyl)methyl]-5-methyloxolane-3-carboxamide
CID 106127038
N-[[2-(chloromethyl)cyclohexyl]methyl]cycloheptanecarboxamide
CID 113273901
N-[(4-hydroxycyclohexyl)methyl]-5-methyloxolane-3-carboxamide
CID 106124593
4-tert-butyl-N-[[2-(chloromethyl)cyclopentyl]methyl]cyclohexane-1-carboxamide
CID 114306766
N-[[2-(chloromethyl)cyclopentyl]methyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 114306831
5-methyl-N-(morpholin-3-ylmethyl)oxolane-3-carboxamide
CID 103548749
N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-5-methyloxolane-3-carboxamide
CID 114826219
N-[[2-(chloromethyl)cyclopentyl]methyl]propanamide
CID 114306626
N-but-2-ynyl-5-methyloxolane-3-carboxamide
CID 126992947
N-[(2S)-2-hydroxypropyl]-5-methyloxolane-3-carboxamide
CID 104979236
N-cyclopentyl-5-methyloxolane-3-carboxamide
CID 114826115

Frequently Asked Questions

What is the IUPAC name of N-[[2-(chloromethyl)cyclopentyl]methyl]-5-methyloxolane-3-carboxamide?
The IUPAC name of N-[[2-(chloromethyl)cyclopentyl]methyl]-5-methyloxolane-3-carboxamide (CID 114823255) is N-[[2-(chloromethyl)cyclopentyl]methyl]-5-methyloxolane-3-carboxamide.
What is the SMILES notation for N-[[2-(chloromethyl)cyclopentyl]methyl]-5-methyloxolane-3-carboxamide?
The canonical SMILES for N-[[2-(chloromethyl)cyclopentyl]methyl]-5-methyloxolane-3-carboxamide is CC1CC(C(=O)NCC2CCCC2CCl)CO1.
What is the InChIKey of N-[[2-(chloromethyl)cyclopentyl]methyl]-5-methyloxolane-3-carboxamide?
The InChIKey is HTECDLJGFUSYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClNO2/c1-9-5-12(8-17-9)13(16)15-7-11-4-2-3-10(11)6-14/h9-12H,2-8H2,1H3,(H,15,16).
What are the key properties of N-[[2-(chloromethyl)cyclopentyl]methyl]-5-methyloxolane-3-carboxamide?
N-[[2-(chloromethyl)cyclopentyl]methyl]-5-methyloxolane-3-carboxamide has a molecular weight of 259.78 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(chloromethyl)cyclopentyl]methyl]-5-methyloxolane-3-carboxamide is sourced from PubChem (CID 114823255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).