4-[(3-chloro-2-pyridinyl)oxymethyl]-1-methylpyrrolidin-2-one

C11H13ClN2O2 — CID 126955026

IUPAC4-[(3-chloro-2-pyridinyl)oxymethyl]-1-methylpyrrolidin-2-one
SMILESCN1CC(COc2ncccc2Cl)CC1=O
InChIInChI=1S/C11H13ClN2O2/c1-14-6-8(5-10(14)15)7-16-11-9(12)3-2-4-13-11/h2-4,8H,5-7H2,1H3
InChIKeyINDHBMZXBLXRFA-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.59
Rot. Bonds3

About 4-[(3-chloro-2-pyridinyl)oxymethyl]-1-methylpyrrolidin-2-one

4-[(3-chloro-2-pyridinyl)oxymethyl]-1-methylpyrrolidin-2-one (PubChem CID 126955026) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 4-[(3-chloro-2-pyridinyl)oxymethyl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[(3-chloro-2-pyridinyl)oxymethyl]-1-methylpyrrolidin-2-one
PubChem CID126955026
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name4-[(3-chloro-2-pyridinyl)oxymethyl]-1-methylpyrrolidin-2-one
SMILESCN1CC(COc2ncccc2Cl)CC1=O
InChIInChI=1S/C11H13ClN2O2/c1-14-6-8(5-10(14)15)7-16-11-9(12)3-2-4-13-11/h2-4,8H,5-7H2,1H3
InChIKeyINDHBMZXBLXRFA-UHFFFAOYSA-N
XLogP1.59
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-2-pyridinyl)oxymethyl]-1-methylpyrrolidin-2-one?
The IUPAC name of 4-[(3-chloro-2-pyridinyl)oxymethyl]-1-methylpyrrolidin-2-one (CID 126955026) is 4-[(3-chloro-2-pyridinyl)oxymethyl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 4-[(3-chloro-2-pyridinyl)oxymethyl]-1-methylpyrrolidin-2-one?
The canonical SMILES for 4-[(3-chloro-2-pyridinyl)oxymethyl]-1-methylpyrrolidin-2-one is CN1CC(COc2ncccc2Cl)CC1=O.
What is the InChIKey of 4-[(3-chloro-2-pyridinyl)oxymethyl]-1-methylpyrrolidin-2-one?
The InChIKey is INDHBMZXBLXRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O2/c1-14-6-8(5-10(14)15)7-16-11-9(12)3-2-4-13-11/h2-4,8H,5-7H2,1H3.
What are the key properties of 4-[(3-chloro-2-pyridinyl)oxymethyl]-1-methylpyrrolidin-2-one?
4-[(3-chloro-2-pyridinyl)oxymethyl]-1-methylpyrrolidin-2-one has a molecular weight of 240.69 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-2-pyridinyl)oxymethyl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 126955026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).