4-ethyl-4,5-dimethyl-2-propan-2-yl-2H-pyrrol-3-one

C11H19NO — CID 142945871

IUPAC4-ethyl-4,5-dimethyl-2-propan-2-yl-2H-pyrrol-3-one
SMILESCCC1(C)C(=O)C(C(C)C)N=C1C
InChIInChI=1S/C11H19NO/c1-6-11(5)8(4)12-9(7(2)3)10(11)13/h7,9H,6H2,1-5H3
InChIKeyBLMJZQOMFWNSOD-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.47
Rot. Bonds2

About 4-ethyl-4,5-dimethyl-2-propan-2-yl-2H-pyrrol-3-one

4-ethyl-4,5-dimethyl-2-propan-2-yl-2H-pyrrol-3-one (PubChem CID 142945871) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-ethyl-4,5-dimethyl-2-propan-2-yl-2H-pyrrol-3-one.

Molecular Properties

Compound Name4-ethyl-4,5-dimethyl-2-propan-2-yl-2H-pyrrol-3-one
PubChem CID142945871
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name4-ethyl-4,5-dimethyl-2-propan-2-yl-2H-pyrrol-3-one
SMILESCCC1(C)C(=O)C(C(C)C)N=C1C
InChIInChI=1S/C11H19NO/c1-6-11(5)8(4)12-9(7(2)3)10(11)13/h7,9H,6H2,1-5H3
InChIKeyBLMJZQOMFWNSOD-UHFFFAOYSA-N
XLogP2.47
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-Ditert-butyl-5-propyl-2,3-dihydropyrrol-4-one
CID 59067701
2-Tert-butyl-3-propan-2-yl-5-propyl-2,3-dihydropyrrol-4-one
CID 59067739
5-Cyclopentylimino-3,3-dimethylcyclohexan-1-one
CID 91161890
4-(2-Ethylhexylimino)pentan-2-one
CID 118001969
5-Tert-butyl-2,4-dihydropyrrol-3-one
CID 118593068
5-(2-Ethylhexylimino)-3,3-dimethylcyclohexan-1-one
CID 123556728
2,2,6,6-Tetramethyl-5-propan-2-yliminoheptan-3-one
CID 140255967
1-(Butan-2-ylideneamino)pentan-2-one;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium
CID 148791418
4-Methanidyl-2,2,6,6-tetramethylheptan-3-one;1-(pentan-2-ylideneamino)butan-2-one;yttrium
CID 149520880
(4R)-4-(3,4-dihydro-2H-pyrrol-5-ylmethyl)-2,2,5-trimethylhexan-3-one
CID 149575909
(4S)-4-(3,4-dihydro-2H-pyrrol-5-ylmethyl)-2,2,5-trimethylhexan-3-one
CID 149575910
(3R)-1,3-dimethylcyclopentane;2,5-dimethyl-2,4-dihydropyrrol-3-one;methane
CID 158667286

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4,5-dimethyl-2-propan-2-yl-2H-pyrrol-3-one?
The IUPAC name of 4-ethyl-4,5-dimethyl-2-propan-2-yl-2H-pyrrol-3-one (CID 142945871) is 4-ethyl-4,5-dimethyl-2-propan-2-yl-2H-pyrrol-3-one.
What is the SMILES notation for 4-ethyl-4,5-dimethyl-2-propan-2-yl-2H-pyrrol-3-one?
The canonical SMILES for 4-ethyl-4,5-dimethyl-2-propan-2-yl-2H-pyrrol-3-one is CCC1(C)C(=O)C(C(C)C)N=C1C.
What is the InChIKey of 4-ethyl-4,5-dimethyl-2-propan-2-yl-2H-pyrrol-3-one?
The InChIKey is BLMJZQOMFWNSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-6-11(5)8(4)12-9(7(2)3)10(11)13/h7,9H,6H2,1-5H3.
What are the key properties of 4-ethyl-4,5-dimethyl-2-propan-2-yl-2H-pyrrol-3-one?
4-ethyl-4,5-dimethyl-2-propan-2-yl-2H-pyrrol-3-one has a molecular weight of 181.28 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4,5-dimethyl-2-propan-2-yl-2H-pyrrol-3-one is sourced from PubChem (CID 142945871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).