4-(3,3-dimethylpyrrolidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one

C14H24N2O2 — CID 86768648

IUPAC4-(3,3-dimethylpyrrolidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1CC(C(=O)N2CCC(C)(C)C2)CC1=O
InChIInChI=1S/C14H24N2O2/c1-10(2)16-8-11(7-12(16)17)13(18)15-6-5-14(3,4)9-15/h10-11H,5-9H2,1-4H3
InChIKeySUKHVWXFHINDJR-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.50
Rot. Bonds2

About 4-(3,3-dimethylpyrrolidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one

4-(3,3-dimethylpyrrolidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one (PubChem CID 86768648) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-(3,3-dimethylpyrrolidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(3,3-dimethylpyrrolidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
PubChem CID86768648
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name4-(3,3-dimethylpyrrolidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1CC(C(=O)N2CCC(C)(C)C2)CC1=O
InChIInChI=1S/C14H24N2O2/c1-10(2)16-8-11(7-12(16)17)13(18)15-6-5-14(3,4)9-15/h10-11H,5-9H2,1-4H3
InChIKeySUKHVWXFHINDJR-UHFFFAOYSA-N
XLogP1.50
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-Bis(2-pyrrolidinonyl)butane
CID 10220147
1-cyclopentyl-N~3~,N~3~-dimethyl-5-oxo-3-pyrrolidinecarboxamide
CID 17081370
1-Isopentyl-4-(1-pyrrolidinylcarbonyl)-2-pyrrolidinone
CID 42656794
1-cyclopentyl-N-methyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 78843832
(3S)-N-cyclopropyl-5-oxo-1-propan-2-yl-N-propylpyrrolidine-3-carboxamide
CID 97185516
(3S)-N-methyl-5-oxo-N,1-di(propan-2-yl)pyrrolidine-3-carboxamide
CID 97853516
[(3R)-1-tert-butyl-3-fluoropyrrolidin-3-yl]-(3-methylpyrrolidin-1-yl)methanone
CID 130195589
3-fluoro-N-methyl-1-(2-methylpropanoyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 156350929
1-[3-[(3R)-3-fluoropyrrolidine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 174317427
4-[3,3-Bis(trifluoromethyl)pyrrolidine-1-carbonyl]-1-methylpyrrolidin-2-one
CID 72011005
4-[3-(Dimethylamino)-4-methylpyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 72122369
(4R)-4-[(3R,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 96102237

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylpyrrolidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 4-(3,3-dimethylpyrrolidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one (CID 86768648) is 4-(3,3-dimethylpyrrolidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 4-(3,3-dimethylpyrrolidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 4-(3,3-dimethylpyrrolidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one is CC(C)N1CC(C(=O)N2CCC(C)(C)C2)CC1=O.
What is the InChIKey of 4-(3,3-dimethylpyrrolidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is SUKHVWXFHINDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-10(2)16-8-11(7-12(16)17)13(18)15-6-5-14(3,4)9-15/h10-11H,5-9H2,1-4H3.
What are the key properties of 4-(3,3-dimethylpyrrolidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one?
4-(3,3-dimethylpyrrolidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 252.36 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylpyrrolidine-1-carbonyl)-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 86768648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).