5-hydroxy-1,5-dimethylpyrrol-2-one

C6H9NO2 — CID 143018585

IUPAC5-hydroxy-1,5-dimethylpyrrol-2-one
SMILESCN1C(=O)C=CC1(C)O
InChIInChI=1S/C6H9NO2/c1-6(9)4-3-5(8)7(6)2/h3-4,9H,1-2H3
InChIKeyHGDUNZQPSBKURP-UHFFFAOYSA-N
MW127.14 g/mol
LogP-0.28
Rot. Bonds

About 5-hydroxy-1,5-dimethylpyrrol-2-one

5-hydroxy-1,5-dimethylpyrrol-2-one (PubChem CID 143018585) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 5-hydroxy-1,5-dimethylpyrrol-2-one.

Molecular Properties

Compound Name5-hydroxy-1,5-dimethylpyrrol-2-one
PubChem CID143018585
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name5-hydroxy-1,5-dimethylpyrrol-2-one
SMILESCN1C(=O)C=CC1(C)O
InChIInChI=1S/C6H9NO2/c1-6(9)4-3-5(8)7(6)2/h3-4,9H,1-2H3
InChIKeyHGDUNZQPSBKURP-UHFFFAOYSA-N
XLogP-0.28
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-Hydroxy-5-methyl-1-(2,2,3,3,3-pentafluoropropyl)pyrrol-2-one
CID 161754331
1-Hexyl-5-hydroxy-5-methylpyrrol-2-one
CID 15275373
5-Hydroxy-1-(2-hydroxyethyl)-5-methylpyrrol-2-one
CID 44472131
5-Hydroxy-5-methyl-1-prop-2-ynylpyrrol-2-one
CID 154691420
1-Ethyl-5-hydroxy-5-methylpyrrol-2-one
CID 164781888
5-Hydroxy-1-(3-hydroxypropyl)-5-methylpyrrol-2-one
CID 44472128
5-Hydroxy-1,5-bis(prop-2-enyl)pyrrol-2-one
CID 72711922
(5S)-5-hydroxy-1-(2-hydroxyethyl)-5-methylpyrrol-2-one
CID 102578573
1-But-3-enyl-5-hydroxy-5-prop-2-enylpyrrol-2-one
CID 102584001
5-Hydroxy-5-methyl-1-(3-methylbutyl)pyrrol-2-one
CID 154691415

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1,5-dimethylpyrrol-2-one?
The IUPAC name of 5-hydroxy-1,5-dimethylpyrrol-2-one (CID 143018585) is 5-hydroxy-1,5-dimethylpyrrol-2-one.
What is the SMILES notation for 5-hydroxy-1,5-dimethylpyrrol-2-one?
The canonical SMILES for 5-hydroxy-1,5-dimethylpyrrol-2-one is CN1C(=O)C=CC1(C)O.
What is the InChIKey of 5-hydroxy-1,5-dimethylpyrrol-2-one?
The InChIKey is HGDUNZQPSBKURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-6(9)4-3-5(8)7(6)2/h3-4,9H,1-2H3.
What are the key properties of 5-hydroxy-1,5-dimethylpyrrol-2-one?
5-hydroxy-1,5-dimethylpyrrol-2-one has a molecular weight of 127.14 g/mol, XLogP of -0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1,5-dimethylpyrrol-2-one is sourced from PubChem (CID 143018585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).