N-[(2-chlorocyclopentyl)methyl]-2-methyloxolane-3-carboxamide

C12H20ClNO2 — CID 114303020

IUPACN-[(2-chlorocyclopentyl)methyl]-2-methyloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)NCC1CCCC1Cl
InChIInChI=1S/C12H20ClNO2/c1-8-10(5-6-16-8)12(15)14-7-9-3-2-4-11(9)13/h8-11H,2-7H2,1H3,(H,14,15)
InChIKeyLADZJOWQFOHXEV-UHFFFAOYSA-N
MW245.75 g/mol
LogP1.94
Rot. Bonds3

About N-[(2-chlorocyclopentyl)methyl]-2-methyloxolane-3-carboxamide

N-[(2-chlorocyclopentyl)methyl]-2-methyloxolane-3-carboxamide (PubChem CID 114303020) has the molecular formula C12H20ClNO2 and a molecular weight of 245.75 g/mol. Its IUPAC name is N-[(2-chlorocyclopentyl)methyl]-2-methyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorocyclopentyl)methyl]-2-methyloxolane-3-carboxamide
PubChem CID114303020
Molecular FormulaC12H20ClNO2
Molecular Weight245.75 g/mol
Exact Mass245.12
IUPAC NameN-[(2-chlorocyclopentyl)methyl]-2-methyloxolane-3-carboxamide
SMILESCC1OCCC1C(=O)NCC1CCCC1Cl
InChIInChI=1S/C12H20ClNO2/c1-8-10(5-6-16-8)12(15)14-7-9-3-2-4-11(9)13/h8-11H,2-7H2,1H3,(H,14,15)
InChIKeyLADZJOWQFOHXEV-UHFFFAOYSA-N
XLogP1.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 51.94
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-chlorocyclohexyl)methyl]-2,4,5-trimethyloxolane-3-carboxamide
CID 113272704
N-[(3-aminocyclohexyl)methyl]-2-methyloxolane-3-carboxamide
CID 106123142
N-ethyl-2-methyloxolane-3-carboxamide
CID 79758522
N-[2-(chloromethyl)cyclopentyl]-2-methyloxolane-3-carboxamide
CID 106365998
N-[(4-bromocyclohexyl)methyl]-2-methyloxolane-3-carboxamide
CID 106134904
2-[(2-methyloxolane-3-carbonyl)amino]acetic acid
CID 79750229
N-[(2-chlorocyclopentyl)methyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107003247
N-[(2-chlorocyclohexyl)methyl]cyclopentanecarboxamide
CID 114301412
2-methyl-N-prop-2-ynyloxolane-3-carboxamide
CID 79762562
N-[(2-chlorocyclohexyl)methyl]-1,4-dioxane-2-carboxamide
CID 114301649
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2-methyloxolane-3-carboxamide
CID 79758864
N-[(2-chlorocyclopentyl)methyl]-2-(oxolan-2-yl)acetamide
CID 114303017

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorocyclopentyl)methyl]-2-methyloxolane-3-carboxamide?
The IUPAC name of N-[(2-chlorocyclopentyl)methyl]-2-methyloxolane-3-carboxamide (CID 114303020) is N-[(2-chlorocyclopentyl)methyl]-2-methyloxolane-3-carboxamide.
What is the SMILES notation for N-[(2-chlorocyclopentyl)methyl]-2-methyloxolane-3-carboxamide?
The canonical SMILES for N-[(2-chlorocyclopentyl)methyl]-2-methyloxolane-3-carboxamide is CC1OCCC1C(=O)NCC1CCCC1Cl.
What is the InChIKey of N-[(2-chlorocyclopentyl)methyl]-2-methyloxolane-3-carboxamide?
The InChIKey is LADZJOWQFOHXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClNO2/c1-8-10(5-6-16-8)12(15)14-7-9-3-2-4-11(9)13/h8-11H,2-7H2,1H3,(H,14,15).
What are the key properties of N-[(2-chlorocyclopentyl)methyl]-2-methyloxolane-3-carboxamide?
N-[(2-chlorocyclopentyl)methyl]-2-methyloxolane-3-carboxamide has a molecular weight of 245.75 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorocyclopentyl)methyl]-2-methyloxolane-3-carboxamide is sourced from PubChem (CID 114303020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).