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

C6H9NO2 — CID 135170661

IUPAC2-hydroxy-1,4-dimethyl-2H-pyrrol-5-one
SMILESCC1=CC(O)N(C)C1=O
InChIInChI=1S/C6H9NO2/c1-4-3-5(8)7(2)6(4)9/h3,5,8H,1-2H3
InChIKeyOOMSZVYDRLPZSG-UHFFFAOYSA-N
MW127.14 g/mol
LogP-0.28
Rot. Bonds

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

2-hydroxy-1,4-dimethyl-2H-pyrrol-5-one (PubChem CID 135170661) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 2-hydroxy-1,4-dimethyl-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-hydroxy-1,4-dimethyl-2H-pyrrol-5-one
PubChem CID135170661
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name2-hydroxy-1,4-dimethyl-2H-pyrrol-5-one
SMILESCC1=CC(O)N(C)C1=O
InChIInChI=1S/C6H9NO2/c1-4-3-5(8)7(2)6(4)9/h3,5,8H,1-2H3
InChIKeyOOMSZVYDRLPZSG-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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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1,4-dimethyl-2H-pyrrol-5-one?
The IUPAC name of 2-hydroxy-1,4-dimethyl-2H-pyrrol-5-one (CID 135170661) is 2-hydroxy-1,4-dimethyl-2H-pyrrol-5-one.
What is the SMILES notation for 2-hydroxy-1,4-dimethyl-2H-pyrrol-5-one?
The canonical SMILES for 2-hydroxy-1,4-dimethyl-2H-pyrrol-5-one is CC1=CC(O)N(C)C1=O.
What is the InChIKey of 2-hydroxy-1,4-dimethyl-2H-pyrrol-5-one?
The InChIKey is OOMSZVYDRLPZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-4-3-5(8)7(2)6(4)9/h3,5,8H,1-2H3.
What are the key properties of 2-hydroxy-1,4-dimethyl-2H-pyrrol-5-one?
2-hydroxy-1,4-dimethyl-2H-pyrrol-5-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 2-hydroxy-1,4-dimethyl-2H-pyrrol-5-one is sourced from PubChem (CID 135170661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).