3,4-dihydroxy-5,5-dimethyl-1H-pyrrol-2-one

C6H9NO3 — CID 58718694

IUPAC3,4-dihydroxy-5,5-dimethyl-1H-pyrrol-2-one
SMILESCC1(C)NC(=O)C(O)=C1O
InChIInChI=1S/C6H9NO3/c1-6(2)4(9)3(8)5(10)7-6/h8-9H,1-2H3,(H,7,10)
InChIKeyPGTDHAQFHYNNKI-UHFFFAOYSA-N
MW143.14 g/mol
LogP0.22
Rot. Bonds

About 3,4-dihydroxy-5,5-dimethyl-1H-pyrrol-2-one

3,4-dihydroxy-5,5-dimethyl-1H-pyrrol-2-one (PubChem CID 58718694) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 3,4-dihydroxy-5,5-dimethyl-1H-pyrrol-2-one.

Molecular Properties

Compound Name3,4-dihydroxy-5,5-dimethyl-1H-pyrrol-2-one
PubChem CID58718694
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name3,4-dihydroxy-5,5-dimethyl-1H-pyrrol-2-one
SMILESCC1(C)NC(=O)C(O)=C1O
InChIInChI=1S/C6H9NO3/c1-6(2)4(9)3(8)5(10)7-6/h8-9H,1-2H3,(H,7,10)
InChIKeyPGTDHAQFHYNNKI-UHFFFAOYSA-N
XLogP0.22
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-5,5-dimethyl-1H-pyrrol-2-one?
The IUPAC name of 3,4-dihydroxy-5,5-dimethyl-1H-pyrrol-2-one (CID 58718694) is 3,4-dihydroxy-5,5-dimethyl-1H-pyrrol-2-one.
What is the SMILES notation for 3,4-dihydroxy-5,5-dimethyl-1H-pyrrol-2-one?
The canonical SMILES for 3,4-dihydroxy-5,5-dimethyl-1H-pyrrol-2-one is CC1(C)NC(=O)C(O)=C1O.
What is the InChIKey of 3,4-dihydroxy-5,5-dimethyl-1H-pyrrol-2-one?
The InChIKey is PGTDHAQFHYNNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-6(2)4(9)3(8)5(10)7-6/h8-9H,1-2H3,(H,7,10).
What are the key properties of 3,4-dihydroxy-5,5-dimethyl-1H-pyrrol-2-one?
3,4-dihydroxy-5,5-dimethyl-1H-pyrrol-2-one has a molecular weight of 143.14 g/mol, XLogP of 0.22, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-5,5-dimethyl-1H-pyrrol-2-one is sourced from PubChem (CID 58718694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).