1-[2-[3-(4-chlorophenoxy)-3-methylpyrrolidin-1-yl]ethyl]pyridin-2-one

C18H21ClN2O2 — CID 121418714

IUPAC1-[2-[3-(4-chlorophenoxy)-3-methylpyrrolidin-1-yl]ethyl]pyridin-2-one
SMILESCC1(Oc2ccc(Cl)cc2)CCN(CCn2ccccc2=O)C1
InChIInChI=1S/C18H21ClN2O2/c1-18(23-16-7-5-15(19)6-8-16)9-11-20(14-18)12-13-21-10-3-2-4-17(21)22/h2-8,10H,9,11-14H2,1H3
InChIKeyISVMFRHEMJILDO-UHFFFAOYSA-N
MW332.83 g/mol
LogP3.05
Rot. Bonds5

About 1-[2-[3-(4-chlorophenoxy)-3-methylpyrrolidin-1-yl]ethyl]pyridin-2-one

1-[2-[3-(4-chlorophenoxy)-3-methylpyrrolidin-1-yl]ethyl]pyridin-2-one (PubChem CID 121418714) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 1-[2-[3-(4-chlorophenoxy)-3-methylpyrrolidin-1-yl]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-[3-(4-chlorophenoxy)-3-methylpyrrolidin-1-yl]ethyl]pyridin-2-one
PubChem CID121418714
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name1-[2-[3-(4-chlorophenoxy)-3-methylpyrrolidin-1-yl]ethyl]pyridin-2-one
SMILESCC1(Oc2ccc(Cl)cc2)CCN(CCn2ccccc2=O)C1
InChIInChI=1S/C18H21ClN2O2/c1-18(23-16-7-5-15(19)6-8-16)9-11-20(14-18)12-13-21-10-3-2-4-17(21)22/h2-8,10H,9,11-14H2,1H3
InChIKeyISVMFRHEMJILDO-UHFFFAOYSA-N
XLogP3.05
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-(4-chlorophenoxy)-3-methylpyrrolidin-1-yl]ethyl]pyridin-2-one?
The IUPAC name of 1-[2-[3-(4-chlorophenoxy)-3-methylpyrrolidin-1-yl]ethyl]pyridin-2-one (CID 121418714) is 1-[2-[3-(4-chlorophenoxy)-3-methylpyrrolidin-1-yl]ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-[3-(4-chlorophenoxy)-3-methylpyrrolidin-1-yl]ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-[3-(4-chlorophenoxy)-3-methylpyrrolidin-1-yl]ethyl]pyridin-2-one is CC1(Oc2ccc(Cl)cc2)CCN(CCn2ccccc2=O)C1.
What is the InChIKey of 1-[2-[3-(4-chlorophenoxy)-3-methylpyrrolidin-1-yl]ethyl]pyridin-2-one?
The InChIKey is ISVMFRHEMJILDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-18(23-16-7-5-15(19)6-8-16)9-11-20(14-18)12-13-21-10-3-2-4-17(21)22/h2-8,10H,9,11-14H2,1H3.
What are the key properties of 1-[2-[3-(4-chlorophenoxy)-3-methylpyrrolidin-1-yl]ethyl]pyridin-2-one?
1-[2-[3-(4-chlorophenoxy)-3-methylpyrrolidin-1-yl]ethyl]pyridin-2-one has a molecular weight of 332.83 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[3-(4-chlorophenoxy)-3-methylpyrrolidin-1-yl]ethyl]pyridin-2-one is sourced from PubChem (CID 121418714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).