N-[2-(chloromethyl)cyclopentyl]-2,4,5-trimethyloxolane-3-carboxamide

C14H24ClNO2 — CID 106365810

IUPACN-[2-(chloromethyl)cyclopentyl]-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)NC2CCCC2CCl)C1C
InChIInChI=1S/C14H24ClNO2/c1-8-9(2)18-10(3)13(8)14(17)16-12-6-4-5-11(12)7-15/h8-13H,4-7H2,1-3H3,(H,16,17)
InChIKeyUNCKRXZAPRIPQW-UHFFFAOYSA-N
MW273.80 g/mol
LogP2.57
Rot. Bonds3

About N-[2-(chloromethyl)cyclopentyl]-2,4,5-trimethyloxolane-3-carboxamide

N-[2-(chloromethyl)cyclopentyl]-2,4,5-trimethyloxolane-3-carboxamide (PubChem CID 106365810) has the molecular formula C14H24ClNO2 and a molecular weight of 273.80 g/mol. Its IUPAC name is N-[2-(chloromethyl)cyclopentyl]-2,4,5-trimethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[2-(chloromethyl)cyclopentyl]-2,4,5-trimethyloxolane-3-carboxamide
PubChem CID106365810
Molecular FormulaC14H24ClNO2
Molecular Weight273.80 g/mol
Exact Mass273.15
IUPAC NameN-[2-(chloromethyl)cyclopentyl]-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)NC2CCCC2CCl)C1C
InChIInChI=1S/C14H24ClNO2/c1-8-9(2)18-10(3)13(8)14(17)16-12-6-4-5-11(12)7-15/h8-13H,4-7H2,1-3H3,(H,16,17)
InChIKeyUNCKRXZAPRIPQW-UHFFFAOYSA-N
XLogP2.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.80
LogP ≤ 52.57
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-[2-(chloromethyl)cyclopentyl]-2-methyloxolane-3-carboxamide
CID 106365998
N-[(1S,2S)-2-hydroxycyclohexyl]-2,4,5-trimethyloxolane-3-carboxamide
CID 102739129
N-[2-(chloromethyl)cyclopentyl]-2-methylcyclopropane-1-carboxamide
CID 106366126
N-[2-(chloromethyl)cyclohexyl]cyclobutanecarboxamide
CID 106366933
N-[2-(chloromethyl)cyclopentyl]cycloheptanecarboxamide
CID 106366097
N-[(2-chlorocyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide
CID 113272704
N-(4-hydroxycyclohexyl)-2,4,5-trimethyloxolane-3-carboxamide
CID 65155760
N-[2-(chloromethyl)cyclopentyl]oxane-3-carboxamide
CID 106365863
N-[(2-hydroxycyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide
CID 65160273
N-[2-(chloromethyl)cyclopentyl]butanamide
CID 106365880
N-[(2-bromocyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide
CID 114312352
N-[2-(chloromethyl)cyclohexyl]oxolane-3-carboxamide
CID 106366913

Frequently Asked Questions

What is the IUPAC name of N-[2-(chloromethyl)cyclopentyl]-2,4,5-trimethyloxolane-3-carboxamide?
The IUPAC name of N-[2-(chloromethyl)cyclopentyl]-2,4,5-trimethyloxolane-3-carboxamide (CID 106365810) is N-[2-(chloromethyl)cyclopentyl]-2,4,5-trimethyloxolane-3-carboxamide.
What is the SMILES notation for N-[2-(chloromethyl)cyclopentyl]-2,4,5-trimethyloxolane-3-carboxamide?
The canonical SMILES for N-[2-(chloromethyl)cyclopentyl]-2,4,5-trimethyloxolane-3-carboxamide is CC1OC(C)C(C(=O)NC2CCCC2CCl)C1C.
What is the InChIKey of N-[2-(chloromethyl)cyclopentyl]-2,4,5-trimethyloxolane-3-carboxamide?
The InChIKey is UNCKRXZAPRIPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClNO2/c1-8-9(2)18-10(3)13(8)14(17)16-12-6-4-5-11(12)7-15/h8-13H,4-7H2,1-3H3,(H,16,17).
What are the key properties of N-[2-(chloromethyl)cyclopentyl]-2,4,5-trimethyloxolane-3-carboxamide?
N-[2-(chloromethyl)cyclopentyl]-2,4,5-trimethyloxolane-3-carboxamide has a molecular weight of 273.80 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(chloromethyl)cyclopentyl]-2,4,5-trimethyloxolane-3-carboxamide is sourced from PubChem (CID 106365810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).