3-(2-methylpropyl)-1-[(3S)-oxolan-3-yl]pyridin-2-one

C13H19NO2 — CID 157368116

IUPAC3-(2-methylpropyl)-1-[(3S)-oxolan-3-yl]pyridin-2-one
SMILESCC(C)Cc1cccn([C@H]2CCOC2)c1=O
InChIInChI=1S/C13H19NO2/c1-10(2)8-11-4-3-6-14(13(11)15)12-5-7-16-9-12/h3-4,6,10,12H,5,7-9H2,1-2H3/t12-/m0/s1
InChIKeyUEDCQZSEFVNJNV-LBPRGKRZSA-N
MW221.30 g/mol
LogP2.01
Rot. Bonds3

About 3-(2-methylpropyl)-1-[(3S)-oxolan-3-yl]pyridin-2-one

3-(2-methylpropyl)-1-[(3S)-oxolan-3-yl]pyridin-2-one (PubChem CID 157368116) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(2-methylpropyl)-1-[(3S)-oxolan-3-yl]pyridin-2-one.

Molecular Properties

Compound Name3-(2-methylpropyl)-1-[(3S)-oxolan-3-yl]pyridin-2-one
PubChem CID157368116
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name3-(2-methylpropyl)-1-[(3S)-oxolan-3-yl]pyridin-2-one
SMILESCC(C)Cc1cccn([C@H]2CCOC2)c1=O
InChIInChI=1S/C13H19NO2/c1-10(2)8-11-4-3-6-14(13(11)15)12-5-7-16-9-12/h3-4,6,10,12H,5,7-9H2,1-2H3/t12-/m0/s1
InChIKeyUEDCQZSEFVNJNV-LBPRGKRZSA-N
XLogP2.01
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-1-[(3S)-oxolan-3-yl]pyridin-2-one?
The IUPAC name of 3-(2-methylpropyl)-1-[(3S)-oxolan-3-yl]pyridin-2-one (CID 157368116) is 3-(2-methylpropyl)-1-[(3S)-oxolan-3-yl]pyridin-2-one.
What is the SMILES notation for 3-(2-methylpropyl)-1-[(3S)-oxolan-3-yl]pyridin-2-one?
The canonical SMILES for 3-(2-methylpropyl)-1-[(3S)-oxolan-3-yl]pyridin-2-one is CC(C)Cc1cccn([C@H]2CCOC2)c1=O.
What is the InChIKey of 3-(2-methylpropyl)-1-[(3S)-oxolan-3-yl]pyridin-2-one?
The InChIKey is UEDCQZSEFVNJNV-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H19NO2/c1-10(2)8-11-4-3-6-14(13(11)15)12-5-7-16-9-12/h3-4,6,10,12H,5,7-9H2,1-2H3/t12-/m0/s1.
What are the key properties of 3-(2-methylpropyl)-1-[(3S)-oxolan-3-yl]pyridin-2-one?
3-(2-methylpropyl)-1-[(3S)-oxolan-3-yl]pyridin-2-one has a molecular weight of 221.30 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-1-[(3S)-oxolan-3-yl]pyridin-2-one is sourced from PubChem (CID 157368116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).