4,5,5-trimethyl-1H-pyrrol-2-one

C7H11NO — CID 12560817

IUPAC4,5,5-trimethyl-1H-pyrrol-2-one
SMILESCC1=CC(=O)NC1(C)C
InChIInChI=1S/C7H11NO/c1-5-4-6(9)8-7(5,2)3/h4H,1-3H3,(H,8,9)
InChIKeyYFPCTGJPNIVERK-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.84
Rot. Bonds

About 4,5,5-trimethyl-1H-pyrrol-2-one

4,5,5-trimethyl-1H-pyrrol-2-one (PubChem CID 12560817) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 4,5,5-trimethyl-1H-pyrrol-2-one.

Molecular Properties

Compound Name4,5,5-trimethyl-1H-pyrrol-2-one
PubChem CID12560817
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name4,5,5-trimethyl-1H-pyrrol-2-one
SMILESCC1=CC(=O)NC1(C)C
InChIInChI=1S/C7H11NO/c1-5-4-6(9)8-7(5,2)3/h4H,1-3H3,(H,8,9)
InChIKeyYFPCTGJPNIVERK-UHFFFAOYSA-N
XLogP0.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,5,5-Trimethyl-2,5-dihydro-1-pyrrol-2-one
CID 12570221
2,5-Dihydro-5,5-dimethylpyrrole-2-one
CID 12560816
4,6,6-Trimethyl-5,6-dihydropyridin-2(1H)-one
CID 15357510
3-Isopropyl-5,5-dimethyl-1H-pyrrol-2(5H)-one
CID 12570222
(E)-N-tert-butyl-2,4-dimethylpent-2-enamide
CID 14383794
(5Z)-5-ethylidene-4-methylpyrrol-2-one
CID 45092435
6,7,7-trimethyl-1H-azepin-2-one
CID 67622730
2H-Pyrrol-2-one, 5-ethylidene-1,5-dihydro-4-methyl-
CID 69680195
6,6-Dimethyl-5,6-dihydropyridin-2(1H)-one
CID 71348150
(Z)-N-tert-butyl-3,4-dimethylpent-2-enamide
CID 89027840
(E)-2,4-dimethyl-N-(2-methylbutan-2-yl)pent-2-enamide
CID 117660537
(5S)-3,5-dimethyl-5-[(1E)-2-methylbuta-1,3-dienyl]-1H-pyrrol-2-one
CID 118145402

Frequently Asked Questions

What is the IUPAC name of 4,5,5-trimethyl-1H-pyrrol-2-one?
The IUPAC name of 4,5,5-trimethyl-1H-pyrrol-2-one (CID 12560817) is 4,5,5-trimethyl-1H-pyrrol-2-one.
What is the SMILES notation for 4,5,5-trimethyl-1H-pyrrol-2-one?
The canonical SMILES for 4,5,5-trimethyl-1H-pyrrol-2-one is CC1=CC(=O)NC1(C)C.
What is the InChIKey of 4,5,5-trimethyl-1H-pyrrol-2-one?
The InChIKey is YFPCTGJPNIVERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-5-4-6(9)8-7(5,2)3/h4H,1-3H3,(H,8,9).
What are the key properties of 4,5,5-trimethyl-1H-pyrrol-2-one?
4,5,5-trimethyl-1H-pyrrol-2-one has a molecular weight of 125.17 g/mol, XLogP of 0.84, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,5-trimethyl-1H-pyrrol-2-one is sourced from PubChem (CID 12560817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).