3-hydroxy-4-methyl-5-methylidenepyrrol-2-one

C6H7NO2 — CID 130010602

IUPAC3-hydroxy-4-methyl-5-methylidenepyrrol-2-one
SMILESC=C1NC(=O)C(O)=C1C
InChIInChI=1S/C6H7NO2/c1-3-4(2)7-6(9)5(3)8/h8H,2H2,1H3,(H,7,9)
InChIKeyJPFJWEBXBCJCKJ-UHFFFAOYSA-N
MW125.13 g/mol
LogP0.46
Rot. Bonds

About 3-hydroxy-4-methyl-5-methylidenepyrrol-2-one

3-hydroxy-4-methyl-5-methylidenepyrrol-2-one (PubChem CID 130010602) has the molecular formula C6H7NO2 and a molecular weight of 125.13 g/mol. Its IUPAC name is 3-hydroxy-4-methyl-5-methylidenepyrrol-2-one.

Molecular Properties

Compound Name3-hydroxy-4-methyl-5-methylidenepyrrol-2-one
PubChem CID130010602
Molecular FormulaC6H7NO2
Molecular Weight125.13 g/mol
Exact Mass125.05
IUPAC Name3-hydroxy-4-methyl-5-methylidenepyrrol-2-one
SMILESC=C1NC(=O)C(O)=C1C
InChIInChI=1S/C6H7NO2/c1-3-4(2)7-6(9)5(3)8/h8H,2H2,1H3,(H,7,9)
InChIKeyJPFJWEBXBCJCKJ-UHFFFAOYSA-N
XLogP0.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methyl-5-methylidenepyrrol-2-one?
The IUPAC name of 3-hydroxy-4-methyl-5-methylidenepyrrol-2-one (CID 130010602) is 3-hydroxy-4-methyl-5-methylidenepyrrol-2-one.
What is the SMILES notation for 3-hydroxy-4-methyl-5-methylidenepyrrol-2-one?
The canonical SMILES for 3-hydroxy-4-methyl-5-methylidenepyrrol-2-one is C=C1NC(=O)C(O)=C1C.
What is the InChIKey of 3-hydroxy-4-methyl-5-methylidenepyrrol-2-one?
The InChIKey is JPFJWEBXBCJCKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2/c1-3-4(2)7-6(9)5(3)8/h8H,2H2,1H3,(H,7,9).
What are the key properties of 3-hydroxy-4-methyl-5-methylidenepyrrol-2-one?
3-hydroxy-4-methyl-5-methylidenepyrrol-2-one has a molecular weight of 125.13 g/mol, XLogP of 0.46, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methyl-5-methylidenepyrrol-2-one is sourced from PubChem (CID 130010602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).