5,5-dimethyl-3-propan-2-yl-1H-pyrrol-2-one

C9H15NO — CID 12570222

IUPAC5,5-dimethyl-3-propan-2-yl-1H-pyrrol-2-one
SMILESCC(C)C1=CC(C)(C)NC1=O
InChIInChI=1S/C9H15NO/c1-6(2)7-5-9(3,4)10-8(7)11/h5-6H,1-4H3,(H,10,11)
InChIKeyKGNVHNRJFRQKKZ-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.48
Rot. Bonds1

About 5,5-dimethyl-3-propan-2-yl-1H-pyrrol-2-one

5,5-dimethyl-3-propan-2-yl-1H-pyrrol-2-one (PubChem CID 12570222) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 5,5-dimethyl-3-propan-2-yl-1H-pyrrol-2-one.

Molecular Properties

Compound Name5,5-dimethyl-3-propan-2-yl-1H-pyrrol-2-one
PubChem CID12570222
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name5,5-dimethyl-3-propan-2-yl-1H-pyrrol-2-one
SMILESCC(C)C1=CC(C)(C)NC1=O
InChIInChI=1S/C9H15NO/c1-6(2)7-5-9(3,4)10-8(7)11/h5-6H,1-4H3,(H,10,11)
InChIKeyKGNVHNRJFRQKKZ-UHFFFAOYSA-N
XLogP1.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1H-Pyrrole-3-carboxamide, 2,5-dihydro-2,2,5,5-tetramethyl-
CID 88255
3,5,5-Trimethyl-2,5-dihydro-1-pyrrol-2-one
CID 12570221
1H-Pyrrole-2,5-dione, 3-(1,1-dimethylethyl)-
CID 12229417
(2S)-2-ethenyl-2,6-dimethyl-3,4-dihydro-1H-azepin-7-one
CID 163189245
Ethyl maleimide
CID 14671028
N-tert-butyl-4-fluorocyclopenta-1,4-diene-1-carboxamide
CID 140669758
N-(1-fluoro-2-methylpropan-2-yl)cyclopenta-1,3-diene-1-carboxamide
CID 141293212
4,5,5-trimethyl-1H-pyrrol-2-one
CID 12560817
(2,2,5,5-tetramethyl-1H-pyrrole-3-carbonyl)azanium
CID 170843996
2-ethenyl-2,6-dimethyl-3,4-dihydro-1H-azepin-7-one
CID 14484759
N-tert-butylcyclopenta-1,3-diene-1-carboxamide
CID 12173351
(E)-N-tert-butyl-2,4-dimethylpent-2-enamide
CID 14383794

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-propan-2-yl-1H-pyrrol-2-one?
The IUPAC name of 5,5-dimethyl-3-propan-2-yl-1H-pyrrol-2-one (CID 12570222) is 5,5-dimethyl-3-propan-2-yl-1H-pyrrol-2-one.
What is the SMILES notation for 5,5-dimethyl-3-propan-2-yl-1H-pyrrol-2-one?
The canonical SMILES for 5,5-dimethyl-3-propan-2-yl-1H-pyrrol-2-one is CC(C)C1=CC(C)(C)NC1=O.
What is the InChIKey of 5,5-dimethyl-3-propan-2-yl-1H-pyrrol-2-one?
The InChIKey is KGNVHNRJFRQKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-6(2)7-5-9(3,4)10-8(7)11/h5-6H,1-4H3,(H,10,11).
What are the key properties of 5,5-dimethyl-3-propan-2-yl-1H-pyrrol-2-one?
5,5-dimethyl-3-propan-2-yl-1H-pyrrol-2-one has a molecular weight of 153.22 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-propan-2-yl-1H-pyrrol-2-one is sourced from PubChem (CID 12570222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).