4-(2,5-dimethylhexan-2-yl)pyrrolidin-2-one

C12H23NO — CID 68860706

IUPAC4-(2,5-dimethylhexan-2-yl)pyrrolidin-2-one
SMILESCC(C)CCC(C)(C)C1CNC(=O)C1
InChIInChI=1S/C12H23NO/c1-9(2)5-6-12(3,4)10-7-11(14)13-8-10/h9-10H,5-8H2,1-4H3,(H,13,14)
InChIKeyBCAGYOAZZJOFGT-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.58
Rot. Bonds4

About 4-(2,5-dimethylhexan-2-yl)pyrrolidin-2-one

4-(2,5-dimethylhexan-2-yl)pyrrolidin-2-one (PubChem CID 68860706) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 4-(2,5-dimethylhexan-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(2,5-dimethylhexan-2-yl)pyrrolidin-2-one
PubChem CID68860706
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name4-(2,5-dimethylhexan-2-yl)pyrrolidin-2-one
SMILESCC(C)CCC(C)(C)C1CNC(=O)C1
InChIInChI=1S/C12H23NO/c1-9(2)5-6-12(3,4)10-7-11(14)13-8-10/h9-10H,5-8H2,1-4H3,(H,13,14)
InChIKeyBCAGYOAZZJOFGT-UHFFFAOYSA-N
XLogP2.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3R)-5-oxopyrrolidin-3-yl]propane-2-sulfinic acid
CID 58348259
(4R)-4-(2-methylpropylamino)pyrrolidin-2-one
CID 139457725
4-propan-2-ylpyrrolidin-2-one
CID 20976007
4-ethylpyrrolidin-2-one;2-methylpropane;propane
CID 144516344
N-(2-methylpropyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 78981416
(4R)-4-[(2S)-pentan-2-yl]oxypyrrolidin-2-one
CID 57229408
(4S)-4-(2-methylpentyl)pyrrolidin-2-one
CID 54458204
(5S)-5-(2-methylpropyl)piperidin-2-one
CID 172505692
5-oxo-N-(2,2,3-trimethylbutyl)pyrrolidine-3-carboxamide
CID 102610483
N-ethyl-N-(2-methylpropyl)-5-oxopyrrolidine-3-carboxamide
CID 78981630
(4S)-4-(3-fluoro-2-methylpropyl)pyrrolidin-2-one
CID 59094008
5-(2-methylpropyl)-2-oxopiperidine-4-carboxylic acid
CID 165457686

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylhexan-2-yl)pyrrolidin-2-one?
The IUPAC name of 4-(2,5-dimethylhexan-2-yl)pyrrolidin-2-one (CID 68860706) is 4-(2,5-dimethylhexan-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(2,5-dimethylhexan-2-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(2,5-dimethylhexan-2-yl)pyrrolidin-2-one is CC(C)CCC(C)(C)C1CNC(=O)C1.
What is the InChIKey of 4-(2,5-dimethylhexan-2-yl)pyrrolidin-2-one?
The InChIKey is BCAGYOAZZJOFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-9(2)5-6-12(3,4)10-7-11(14)13-8-10/h9-10H,5-8H2,1-4H3,(H,13,14).
What are the key properties of 4-(2,5-dimethylhexan-2-yl)pyrrolidin-2-one?
4-(2,5-dimethylhexan-2-yl)pyrrolidin-2-one has a molecular weight of 197.32 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylhexan-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 68860706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).