1-(1,1-dicyclopropylethyl)pyrrolidin-3-one

C12H19NO — CID 164651283

IUPAC1-(1,1-dicyclopropylethyl)pyrrolidin-3-one
SMILESCC(C1CC1)(C1CC1)N1CCC(=O)C1
InChIInChI=1S/C12H19NO/c1-12(9-2-3-9,10-4-5-10)13-7-6-11(14)8-13/h9-10H,2-8H2,1H3
InChIKeyOLSBIYSHRDHKLD-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.84
Rot. Bonds3

About 1-(1,1-dicyclopropylethyl)pyrrolidin-3-one

1-(1,1-dicyclopropylethyl)pyrrolidin-3-one (PubChem CID 164651283) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-(1,1-dicyclopropylethyl)pyrrolidin-3-one.

Molecular Properties

Compound Name1-(1,1-dicyclopropylethyl)pyrrolidin-3-one
PubChem CID164651283
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-(1,1-dicyclopropylethyl)pyrrolidin-3-one
SMILESCC(C1CC1)(C1CC1)N1CCC(=O)C1
InChIInChI=1S/C12H19NO/c1-12(9-2-3-9,10-4-5-10)13-7-6-11(14)8-13/h9-10H,2-8H2,1H3
InChIKeyOLSBIYSHRDHKLD-UHFFFAOYSA-N
XLogP1.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-methyl-2-(3-oxopyrrolidin-1-yl)propanoate
CID 155752843
1-(2-cyclobutyl-2-methylpropanoyl)pyrrolidin-3-one
CID 130971154
1-(2-methylbutan-2-yl)piperidin-3-one
CID 139881605
1-cyclobutylpyrrolidin-3-one
CID 62416933
4-tert-butylcyclohexan-1-one
CID 7392
1-(cyclopentylmethyl)pyrrolidin-3-one
CID 43371123
1-(trideuteriomethyl)pyrrolidin-3-one
CID 164745373
1-(2,2-dimethylcyclohexyl)pyrrolidin-3-one
CID 79871529
1-cyclodecylpyrrolidin-3-one
CID 138676614
1-(3-methylcyclopentyl)pyrrolidin-3-one
CID 114546729
1-(2,2-dimethylcyclobutyl)pyrrolidin-3-one
CID 130556007
1-methylpiperidin-3-one;hydrochloride
CID 12629791

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dicyclopropylethyl)pyrrolidin-3-one?
The IUPAC name of 1-(1,1-dicyclopropylethyl)pyrrolidin-3-one (CID 164651283) is 1-(1,1-dicyclopropylethyl)pyrrolidin-3-one.
What is the SMILES notation for 1-(1,1-dicyclopropylethyl)pyrrolidin-3-one?
The canonical SMILES for 1-(1,1-dicyclopropylethyl)pyrrolidin-3-one is CC(C1CC1)(C1CC1)N1CCC(=O)C1.
What is the InChIKey of 1-(1,1-dicyclopropylethyl)pyrrolidin-3-one?
The InChIKey is OLSBIYSHRDHKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-12(9-2-3-9,10-4-5-10)13-7-6-11(14)8-13/h9-10H,2-8H2,1H3.
What are the key properties of 1-(1,1-dicyclopropylethyl)pyrrolidin-3-one?
1-(1,1-dicyclopropylethyl)pyrrolidin-3-one has a molecular weight of 193.29 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dicyclopropylethyl)pyrrolidin-3-one is sourced from PubChem (CID 164651283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).