5-(2-methylpropyl)-5-(oxolan-3-ylmethyl)pyrrolidin-2-one

C13H23NO2 — CID 104687652

IUPAC5-(2-methylpropyl)-5-(oxolan-3-ylmethyl)pyrrolidin-2-one
SMILESCC(C)CC1(CC2CCOC2)CCC(=O)N1
InChIInChI=1S/C13H23NO2/c1-10(2)7-13(5-3-12(15)14-13)8-11-4-6-16-9-11/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyZHHISWCYPGYBJP-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.11
Rot. Bonds4

About 5-(2-methylpropyl)-5-(oxolan-3-ylmethyl)pyrrolidin-2-one

5-(2-methylpropyl)-5-(oxolan-3-ylmethyl)pyrrolidin-2-one (PubChem CID 104687652) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 5-(2-methylpropyl)-5-(oxolan-3-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(2-methylpropyl)-5-(oxolan-3-ylmethyl)pyrrolidin-2-one
PubChem CID104687652
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name5-(2-methylpropyl)-5-(oxolan-3-ylmethyl)pyrrolidin-2-one
SMILESCC(C)CC1(CC2CCOC2)CCC(=O)N1
InChIInChI=1S/C13H23NO2/c1-10(2)7-13(5-3-12(15)14-13)8-11-4-6-16-9-11/h10-11H,3-9H2,1-2H3,(H,14,15)
InChIKeyZHHISWCYPGYBJP-UHFFFAOYSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(4-cyclopropylphenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one
CID 104687674
5-(2-methylpropyl)-5-[(1-propylpyrrol-2-yl)methyl]pyrrolidin-2-one
CID 104687738
5-[(2,3-dimethylphenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one
CID 104687622
3-(2-methylpropyl)-1-(oxolan-3-ylmethyl)-1,4-diazepane-2,5-dione
CID 64882199
5-[(3-bromothiophen-2-yl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one
CID 104687774
2-(oxolan-3-ylmethyl)-2-propan-2-ylpiperidine
CID 117271154
5-[(3-bromo-4-chlorophenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one
CID 104687775
5-[(2-chloro-6-fluorophenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one
CID 104687653
3-[[1-(bromomethyl)-2-methylcyclopropyl]methyl]oxolane
CID 165445775
3,3-dimethyl-1-(oxan-3-ylmethyl)-1,4-diazepane-2,5-dione
CID 64967761
5-[(3,5-dibromo-2-methoxyphenyl)methyl]-5-(2-methylpropyl)pyrrolidin-2-one
CID 104687753
3-[(2S)-2-[(2-fluoro-5-methoxyphenyl)methyl]-5-oxopyrrolidin-2-yl]-N-methyl-N-[(3R)-oxolan-3-yl]propanamide
CID 42451130

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-5-(oxolan-3-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 5-(2-methylpropyl)-5-(oxolan-3-ylmethyl)pyrrolidin-2-one (CID 104687652) is 5-(2-methylpropyl)-5-(oxolan-3-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 5-(2-methylpropyl)-5-(oxolan-3-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 5-(2-methylpropyl)-5-(oxolan-3-ylmethyl)pyrrolidin-2-one is CC(C)CC1(CC2CCOC2)CCC(=O)N1.
What is the InChIKey of 5-(2-methylpropyl)-5-(oxolan-3-ylmethyl)pyrrolidin-2-one?
The InChIKey is ZHHISWCYPGYBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-10(2)7-13(5-3-12(15)14-13)8-11-4-6-16-9-11/h10-11H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 5-(2-methylpropyl)-5-(oxolan-3-ylmethyl)pyrrolidin-2-one?
5-(2-methylpropyl)-5-(oxolan-3-ylmethyl)pyrrolidin-2-one has a molecular weight of 225.33 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-5-(oxolan-3-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 104687652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).