3-hydroxy-4-methyl-1-pentylpyrrole-2,5-dione

C10H15NO3 — CID 67068209

IUPAC3-hydroxy-4-methyl-1-pentylpyrrole-2,5-dione
SMILESCCCCCN1C(=O)C(C)=C(O)C1=O
InChIInChI=1S/C10H15NO3/c1-3-4-5-6-11-9(13)7(2)8(12)10(11)14/h12H,3-6H2,1-2H3
InChIKeyMKANOWUXSALFOZ-UHFFFAOYSA-N
MW197.23 g/mol
LogP1.38
Rot. Bonds4

About 3-hydroxy-4-methyl-1-pentylpyrrole-2,5-dione

3-hydroxy-4-methyl-1-pentylpyrrole-2,5-dione (PubChem CID 67068209) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 3-hydroxy-4-methyl-1-pentylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-hydroxy-4-methyl-1-pentylpyrrole-2,5-dione
PubChem CID67068209
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name3-hydroxy-4-methyl-1-pentylpyrrole-2,5-dione
SMILESCCCCCN1C(=O)C(C)=C(O)C1=O
InChIInChI=1S/C10H15NO3/c1-3-4-5-6-11-9(13)7(2)8(12)10(11)14/h12H,3-6H2,1-2H3
InChIKeyMKANOWUXSALFOZ-UHFFFAOYSA-N
XLogP1.38
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-methyl-1-pentylpyrrole-2,5-dione?
The IUPAC name of 3-hydroxy-4-methyl-1-pentylpyrrole-2,5-dione (CID 67068209) is 3-hydroxy-4-methyl-1-pentylpyrrole-2,5-dione.
What is the SMILES notation for 3-hydroxy-4-methyl-1-pentylpyrrole-2,5-dione?
The canonical SMILES for 3-hydroxy-4-methyl-1-pentylpyrrole-2,5-dione is CCCCCN1C(=O)C(C)=C(O)C1=O.
What is the InChIKey of 3-hydroxy-4-methyl-1-pentylpyrrole-2,5-dione?
The InChIKey is MKANOWUXSALFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-3-4-5-6-11-9(13)7(2)8(12)10(11)14/h12H,3-6H2,1-2H3.
What are the key properties of 3-hydroxy-4-methyl-1-pentylpyrrole-2,5-dione?
3-hydroxy-4-methyl-1-pentylpyrrole-2,5-dione has a molecular weight of 197.23 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methyl-1-pentylpyrrole-2,5-dione is sourced from PubChem (CID 67068209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).