1-(2-propan-2-ylidenepyrrolidin-1-yl)ethanone

C9H15NO — CID 58322144

IUPAC1-(2-propan-2-ylidenepyrrolidin-1-yl)ethanone
SMILESCC(=O)N1CCCC1=C(C)C
InChIInChI=1S/C9H15NO/c1-7(2)9-5-4-6-10(9)8(3)11/h4-6H2,1-3H3
InChIKeyGINZMXDJIACBRK-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.92
Rot. Bonds

About 1-(2-propan-2-ylidenepyrrolidin-1-yl)ethanone

1-(2-propan-2-ylidenepyrrolidin-1-yl)ethanone (PubChem CID 58322144) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 1-(2-propan-2-ylidenepyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-propan-2-ylidenepyrrolidin-1-yl)ethanone
PubChem CID58322144
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name1-(2-propan-2-ylidenepyrrolidin-1-yl)ethanone
SMILESCC(=O)N1CCCC1=C(C)C
InChIInChI=1S/C9H15NO/c1-7(2)9-5-4-6-10(9)8(3)11/h4-6H2,1-3H3
InChIKeyGINZMXDJIACBRK-UHFFFAOYSA-N
XLogP1.92
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,2-trimethyl-6,7-dihydro-5H-pyrrolizin-3-one
CID 45088851
1,4,5-trimethyl-3H-pyrrol-2-one
CID 23569791
1-Methyl-5-propan-2-ylidenepyrrolidin-2-one
CID 53878659
1-(4,5-Diethyl-2,3-dihydropyrrol-1-yl)ethanone
CID 68390471
1-(2,5,5-Trimethylhex-2-en-3-yl)pyrrolidin-2-one
CID 89450246
1-(4,5-Dimethyl-2,3-dihydropyrrol-1-yl)ethanone
CID 89785848
3-(1-Acetylpyrrolidin-2-ylidene)butan-2-one
CID 123729373
N-(4-methylhex-3-en-3-yl)-N-propylacetamide
CID 123777307
1-[(4Z)-4-butan-2-ylidene-2,3-dimethylidenepyrrolidin-1-yl]ethanone;propane
CID 144342838
1-[(2E,3Z)-2,3-di(ethylidene)pyrrolidin-1-yl]ethanone;ethane
CID 144885779
1-(4-Ethenyl-5-methyl-2,3-dihydropyrrol-1-yl)ethanone
CID 155042596
1-[2,3-Di(propan-2-ylidene)pyrrolidin-1-yl]propan-1-one
CID 165379522

Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-ylidenepyrrolidin-1-yl)ethanone?
The IUPAC name of 1-(2-propan-2-ylidenepyrrolidin-1-yl)ethanone (CID 58322144) is 1-(2-propan-2-ylidenepyrrolidin-1-yl)ethanone.
What is the SMILES notation for 1-(2-propan-2-ylidenepyrrolidin-1-yl)ethanone?
The canonical SMILES for 1-(2-propan-2-ylidenepyrrolidin-1-yl)ethanone is CC(=O)N1CCCC1=C(C)C.
What is the InChIKey of 1-(2-propan-2-ylidenepyrrolidin-1-yl)ethanone?
The InChIKey is GINZMXDJIACBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-7(2)9-5-4-6-10(9)8(3)11/h4-6H2,1-3H3.
What are the key properties of 1-(2-propan-2-ylidenepyrrolidin-1-yl)ethanone?
1-(2-propan-2-ylidenepyrrolidin-1-yl)ethanone has a molecular weight of 153.22 g/mol, XLogP of 1.92, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-ylidenepyrrolidin-1-yl)ethanone is sourced from PubChem (CID 58322144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).