1-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2,5-dione

C10H15NO3 — CID 61250629

IUPAC1-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2,5-dione
SMILESCC(C)CC(CO)N1C(=O)C=CC1=O
InChIInChI=1S/C10H15NO3/c1-7(2)5-8(6-12)11-9(13)3-4-10(11)14/h3-4,7-8,12H,5-6H2,1-2H3
InChIKeyBGZBQSCWACVROJ-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.32
Rot. Bonds4

About 1-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2,5-dione

1-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2,5-dione (PubChem CID 61250629) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 1-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2,5-dione
PubChem CID61250629
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name1-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2,5-dione
SMILESCC(C)CC(CO)N1C(=O)C=CC1=O
InChIInChI=1S/C10H15NO3/c1-7(2)5-8(6-12)11-9(13)3-4-10(11)14/h3-4,7-8,12H,5-6H2,1-2H3
InChIKeyBGZBQSCWACVROJ-UHFFFAOYSA-N
XLogP0.32
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 ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7,18-bis[(2R)-1-hydroxy-4-methylpentan-2-yl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 177446063
7,18-bis(1-hydroxy-4-methylpentan-2-yl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 139372441
4-methyl-2-pyrrol-1-ylpentan-1-ol
CID 104549267
1-(1-hydroxy-4-methylpentan-2-yl)imidazolidin-2-one
CID 104549237
6-(1-hydroxy-4-methylpentan-2-yl)-13-(N-phenylanilino)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 118199038
methyl (2S)-2-(2,5-dioxopyrrol-1-yl)-3-hydroxypropanoate
CID 101212710
1-(5-hydroxyhexan-2-yl)pyrrole-2,5-dione
CID 67068197
6-(2-ethyl-6-methylphenyl)-13-(1-hydroxy-4-methylpentan-2-yl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 118026382
6-[4-(4-hydroxybutyl)phenyl]-13-(1-hydroxy-4-methylpentan-2-yl)-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaene-5,7,12,14-tetrone
CID 118198615
benzyl (2S)-2-(2,5-dioxopyrrol-1-yl)-4-methylpentanoate
CID 101435468
1-(2,5-dioxopyrrol-1-yl)ethylphosphonic acid
CID 67705894
ethane;1-(3-oxobutan-2-yl)pyrrole-2,5-dione
CID 176999614

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2,5-dione?
The IUPAC name of 1-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2,5-dione (CID 61250629) is 1-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2,5-dione?
The canonical SMILES for 1-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2,5-dione is CC(C)CC(CO)N1C(=O)C=CC1=O.
What is the InChIKey of 1-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2,5-dione?
The InChIKey is BGZBQSCWACVROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-7(2)5-8(6-12)11-9(13)3-4-10(11)14/h3-4,7-8,12H,5-6H2,1-2H3.
What are the key properties of 1-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2,5-dione?
1-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2,5-dione has a molecular weight of 197.23 g/mol, XLogP of 0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-4-methylpentan-2-yl)pyrrole-2,5-dione is sourced from PubChem (CID 61250629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).