3-methyl-4-(oxolan-2-yl)pyrrolidin-2-one

C9H15NO2 — CID 131123608

IUPAC3-methyl-4-(oxolan-2-yl)pyrrolidin-2-one
SMILESCC1C(=O)NCC1C1CCCO1
InChIInChI=1S/C9H15NO2/c1-6-7(5-10-9(6)11)8-3-2-4-12-8/h6-8H,2-5H2,1H3,(H,10,11)
InChIKeyLHYFGIWOJFVEMM-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.55
Rot. Bonds1

About 3-methyl-4-(oxolan-2-yl)pyrrolidin-2-one

3-methyl-4-(oxolan-2-yl)pyrrolidin-2-one (PubChem CID 131123608) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 3-methyl-4-(oxolan-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-methyl-4-(oxolan-2-yl)pyrrolidin-2-one
PubChem CID131123608
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name3-methyl-4-(oxolan-2-yl)pyrrolidin-2-one
SMILESCC1C(=O)NCC1C1CCCO1
InChIInChI=1S/C9H15NO2/c1-6-7(5-10-9(6)11)8-3-2-4-12-8/h6-8H,2-5H2,1H3,(H,10,11)
InChIKeyLHYFGIWOJFVEMM-UHFFFAOYSA-N
XLogP0.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-ethyl-4-(oxolan-2-yl)pyrrolidin-2-one
CID 82837252
3-(2-methylpropyl)-4-(oxolan-2-yl)piperidine-2,6-dione
CID 82838057
(4aR,5S,7aS)-5-methyl-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran
CID 100959925
3-cyclopropyl-4-(oxolan-2-yl)azetidin-2-one
CID 131007607
2-(oxolan-2-yl)cyclopropane-1-carboxylic acid
CID 82836902
2,4-dimethyloxepan-3-one
CID 19870825
5-methyl-2-(oxolan-2-yl)-1,3-thiazolidine
CID 82837923
(4S,4aS,8aS)-4-methyl-1,3,4,4a,5,6,8,8a-octahydropyrimido[4,5-d]pyrimidine-2,7-dione
CID 92508884
4-methyl-2-(oxolan-2-yl)-1,4-dihydroimidazol-5-one
CID 106952084
2-(oxiran-2-yl)oxolane
CID 18759351
7-methyl-3,3a,5,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-4-one
CID 130141503
5-(oxan-2-yl)cyclohexane-1,3-dione
CID 139826311

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(oxolan-2-yl)pyrrolidin-2-one?
The IUPAC name of 3-methyl-4-(oxolan-2-yl)pyrrolidin-2-one (CID 131123608) is 3-methyl-4-(oxolan-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 3-methyl-4-(oxolan-2-yl)pyrrolidin-2-one?
The canonical SMILES for 3-methyl-4-(oxolan-2-yl)pyrrolidin-2-one is CC1C(=O)NCC1C1CCCO1.
What is the InChIKey of 3-methyl-4-(oxolan-2-yl)pyrrolidin-2-one?
The InChIKey is LHYFGIWOJFVEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-6-7(5-10-9(6)11)8-3-2-4-12-8/h6-8H,2-5H2,1H3,(H,10,11).
What are the key properties of 3-methyl-4-(oxolan-2-yl)pyrrolidin-2-one?
3-methyl-4-(oxolan-2-yl)pyrrolidin-2-one has a molecular weight of 169.22 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(oxolan-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 131123608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).