2-(2,2-dimethylpropyl)pyrrolidin-3-one

C9H17NO — CID 83826483

IUPAC2-(2,2-dimethylpropyl)pyrrolidin-3-one
SMILESCC(C)(C)CC1NCCC1=O
InChIInChI=1S/C9H17NO/c1-9(2,3)6-7-8(11)4-5-10-7/h7,10H,4-6H2,1-3H3
InChIKeyOWDDZSIXFIVKHR-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.35
Rot. Bonds1

About 2-(2,2-dimethylpropyl)pyrrolidin-3-one

2-(2,2-dimethylpropyl)pyrrolidin-3-one (PubChem CID 83826483) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)pyrrolidin-3-one.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)pyrrolidin-3-one
PubChem CID83826483
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-(2,2-dimethylpropyl)pyrrolidin-3-one
SMILESCC(C)(C)CC1NCCC1=O
InChIInChI=1S/C9H17NO/c1-9(2,3)6-7-8(11)4-5-10-7/h7,10H,4-6H2,1-3H3
InChIKeyOWDDZSIXFIVKHR-UHFFFAOYSA-N
XLogP1.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-1-[(2R)-1-methylpyrrolidin-2-yl]propan-1-one
CID 10080791
2,2-Dimethyl-1-(1-methylpyrrolidin-2-YL)propan-1-one
CID 15758088
3-Methyl-1-(pyrrolidin-2-YL)butan-2-one
CID 23588201
2,2-dimethyl-1-[(2S)-1-methylpyrrolidin-2-yl]propan-1-one
CID 59080127
1-[(2S,4R)-4-fluoropyrrolidin-2-yl]-2,2-dimethylpropan-1-one
CID 59470738
1-[(2S)-4,4-difluoropyrrolidin-2-yl]-2,2-dimethylpropan-1-one
CID 59470824
1-[(2S,4S)-4-fluoropyrrolidin-2-yl]-2,2-dimethylpropan-1-one
CID 59470886
1-[(2S,4S)-4-fluoropyrrolidin-2-yl]-2-methylpropan-1-one
CID 59668715
1-[(2S,4R)-4-fluoropyrrolidin-2-yl]-2-methylpropan-1-one
CID 59668879
1-[(2S)-4-fluoro-4-methylpyrrolidin-2-yl]propan-1-one
CID 68044448
1-[(2S)-4-fluoro-4-methylpyrrolidin-2-yl]-2-methylpropan-1-one
CID 68044509
1-(4-Fluoropyrrolidin-2-yl)-2,2-dimethylpropan-1-one
CID 72294827

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)pyrrolidin-3-one?
The IUPAC name of 2-(2,2-dimethylpropyl)pyrrolidin-3-one (CID 83826483) is 2-(2,2-dimethylpropyl)pyrrolidin-3-one.
What is the SMILES notation for 2-(2,2-dimethylpropyl)pyrrolidin-3-one?
The canonical SMILES for 2-(2,2-dimethylpropyl)pyrrolidin-3-one is CC(C)(C)CC1NCCC1=O.
What is the InChIKey of 2-(2,2-dimethylpropyl)pyrrolidin-3-one?
The InChIKey is OWDDZSIXFIVKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-9(2,3)6-7-8(11)4-5-10-7/h7,10H,4-6H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropyl)pyrrolidin-3-one?
2-(2,2-dimethylpropyl)pyrrolidin-3-one has a molecular weight of 155.24 g/mol, XLogP of 1.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)pyrrolidin-3-one is sourced from PubChem (CID 83826483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).