4-hydroxy-5,5-dimethyl-1H-pyrrol-2-one

C6H9NO2 — CID 66725429

IUPAC4-hydroxy-5,5-dimethyl-1H-pyrrol-2-one
SMILESCC1(C)NC(=O)C=C1O
InChIInChI=1S/C6H9NO2/c1-6(2)4(8)3-5(9)7-6/h3,8H,1-2H3,(H,7,9)
InChIKeyCMQSIZNXQKYGJO-UHFFFAOYSA-N
MW127.14 g/mol
LogP0.34
Rot. Bonds

About 4-hydroxy-5,5-dimethyl-1H-pyrrol-2-one

4-hydroxy-5,5-dimethyl-1H-pyrrol-2-one (PubChem CID 66725429) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 4-hydroxy-5,5-dimethyl-1H-pyrrol-2-one.

Molecular Properties

Compound Name4-hydroxy-5,5-dimethyl-1H-pyrrol-2-one
PubChem CID66725429
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name4-hydroxy-5,5-dimethyl-1H-pyrrol-2-one
SMILESCC1(C)NC(=O)C=C1O
InChIInChI=1S/C6H9NO2/c1-6(2)4(8)3-5(9)7-6/h3,8H,1-2H3,(H,7,9)
InChIKeyCMQSIZNXQKYGJO-UHFFFAOYSA-N
XLogP0.34
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5,5-dimethyl-1H-pyrrol-2-one?
The IUPAC name of 4-hydroxy-5,5-dimethyl-1H-pyrrol-2-one (CID 66725429) is 4-hydroxy-5,5-dimethyl-1H-pyrrol-2-one.
What is the SMILES notation for 4-hydroxy-5,5-dimethyl-1H-pyrrol-2-one?
The canonical SMILES for 4-hydroxy-5,5-dimethyl-1H-pyrrol-2-one is CC1(C)NC(=O)C=C1O.
What is the InChIKey of 4-hydroxy-5,5-dimethyl-1H-pyrrol-2-one?
The InChIKey is CMQSIZNXQKYGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-6(2)4(8)3-5(9)7-6/h3,8H,1-2H3,(H,7,9).
What are the key properties of 4-hydroxy-5,5-dimethyl-1H-pyrrol-2-one?
4-hydroxy-5,5-dimethyl-1H-pyrrol-2-one has a molecular weight of 127.14 g/mol, XLogP of 0.34, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5,5-dimethyl-1H-pyrrol-2-one is sourced from PubChem (CID 66725429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).