5-hydroxy-5-methyl-1-(3-methylbutyl)pyrrol-2-one

C10H17NO2 — CID 154691415

IUPAC5-hydroxy-5-methyl-1-(3-methylbutyl)pyrrol-2-one
SMILESCC(C)CCN1C(=O)C=CC1(C)O
InChIInChI=1S/C10H17NO2/c1-8(2)5-7-11-9(12)4-6-10(11,3)13/h4,6,8,13H,5,7H2,1-3H3
InChIKeyDZUNGKAMTXLWOD-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.14
Rot. Bonds3

About 5-hydroxy-5-methyl-1-(3-methylbutyl)pyrrol-2-one

5-hydroxy-5-methyl-1-(3-methylbutyl)pyrrol-2-one (PubChem CID 154691415) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 5-hydroxy-5-methyl-1-(3-methylbutyl)pyrrol-2-one.

Molecular Properties

Compound Name5-hydroxy-5-methyl-1-(3-methylbutyl)pyrrol-2-one
PubChem CID154691415
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name5-hydroxy-5-methyl-1-(3-methylbutyl)pyrrol-2-one
SMILESCC(C)CCN1C(=O)C=CC1(C)O
InChIInChI=1S/C10H17NO2/c1-8(2)5-7-11-9(12)4-6-10(11,3)13/h4,6,8,13H,5,7H2,1-3H3
InChIKeyDZUNGKAMTXLWOD-UHFFFAOYSA-N
XLogP1.14
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5,5-dimethyl-1-(3-methylbutyl)-2,5-dihydro-1H-pyrrol-2-one
CID 165795481
1-Hexyl-5-hydroxy-5-methylpyrrol-2-one
CID 15275373
5-Hydroxy-1,5-dimethylpyrrol-2-one
CID 143018585
N-(1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl)-N-propan-2-ylbutanamide
CID 146591614
1-Hept-6-enyl-5-hydroxy-5-methylpyrrol-2-one
CID 154691411
5-Hydroxy-5-methyl-1-(3-methylbutyl)pyrrol-2-one;3-methoxy-3-methylbutan-1-ol
CID 154691414
5-Hydroxy-5-methyl-1-prop-2-ynylpyrrol-2-one
CID 154691420
1-Ethyl-5-hydroxy-5-methylpyrrol-2-one
CID 164781888
1-[4-(2-Hydroxy-2-methyl-5-oxopyrrol-1-yl)butyl]pyrrole-2,5-dione
CID 166530487
(E)-4-hydroperoxy-4-methyl-1-pyrrolidin-1-ylpent-2-en-1-one
CID 102062986

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-5-methyl-1-(3-methylbutyl)pyrrol-2-one?
The IUPAC name of 5-hydroxy-5-methyl-1-(3-methylbutyl)pyrrol-2-one (CID 154691415) is 5-hydroxy-5-methyl-1-(3-methylbutyl)pyrrol-2-one.
What is the SMILES notation for 5-hydroxy-5-methyl-1-(3-methylbutyl)pyrrol-2-one?
The canonical SMILES for 5-hydroxy-5-methyl-1-(3-methylbutyl)pyrrol-2-one is CC(C)CCN1C(=O)C=CC1(C)O.
What is the InChIKey of 5-hydroxy-5-methyl-1-(3-methylbutyl)pyrrol-2-one?
The InChIKey is DZUNGKAMTXLWOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8(2)5-7-11-9(12)4-6-10(11,3)13/h4,6,8,13H,5,7H2,1-3H3.
What are the key properties of 5-hydroxy-5-methyl-1-(3-methylbutyl)pyrrol-2-one?
5-hydroxy-5-methyl-1-(3-methylbutyl)pyrrol-2-one has a molecular weight of 183.25 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-5-methyl-1-(3-methylbutyl)pyrrol-2-one is sourced from PubChem (CID 154691415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).