1-cyclopentyl-3-methylpyrrole-2,5-dione

C10H13NO2 — CID 19616582

IUPAC1-cyclopentyl-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C10H13NO2/c1-7-6-9(12)11(10(7)13)8-4-2-3-5-8/h6,8H,2-5H2,1H3
InChIKeyVJGCCFQIMAAKCO-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.24
Rot. Bonds1

About 1-cyclopentyl-3-methylpyrrole-2,5-dione

1-cyclopentyl-3-methylpyrrole-2,5-dione (PubChem CID 19616582) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-cyclopentyl-3-methylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-cyclopentyl-3-methylpyrrole-2,5-dione
PubChem CID19616582
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name1-cyclopentyl-3-methylpyrrole-2,5-dione
SMILESCC1=CC(=O)N(C2CCCC2)C1=O
InChIInChI=1S/C10H13NO2/c1-7-6-9(12)11(10(7)13)8-4-2-3-5-8/h6,8H,2-5H2,1H3
InChIKeyVJGCCFQIMAAKCO-UHFFFAOYSA-N
XLogP1.24
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Methyl-1-octyl-pyrrole-2,5-dione
CID 512826
N-nonyl citraconimide
CID 512824
3-Methyl-1-propylpyrrole-2,5-dione
CID 15697210
1-Butyl-3-methyl-1H-pyrrole-2,5-dione
CID 19068312
1-cyclohexyl-3-methyl-2,5-dihydro-1H-pyrrole-2,5-dione
CID 19616649
3-Methyl-1-(5,5,5-trifluoropentyl)pyrrole-2,5-dione
CID 115520128
1-Cyclopentyl-pyrrole-2,5-dione
CID 1516409
1-Hexan-2-ylpyrrole-2,5-dione
CID 12858662
3-Methyl-1-pentylpyrrole-2,5-dione
CID 19016843
3-Methyl-1-[4-(3-methyl-2,5-dioxopyrrol-1-yl)butyl]pyrrole-2,5-dione
CID 19968748
3-Methyl-1-[5-(3-methyl-2,5-dioxopyrrol-1-yl)pentyl]pyrrole-2,5-dione
CID 19968749
3-Methyl-1-[4-(3-methyl-2,5-dioxopyrrol-1-yl)cyclohexyl]pyrrole-2,5-dione
CID 19968757

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-methylpyrrole-2,5-dione?
The IUPAC name of 1-cyclopentyl-3-methylpyrrole-2,5-dione (CID 19616582) is 1-cyclopentyl-3-methylpyrrole-2,5-dione.
What is the SMILES notation for 1-cyclopentyl-3-methylpyrrole-2,5-dione?
The canonical SMILES for 1-cyclopentyl-3-methylpyrrole-2,5-dione is CC1=CC(=O)N(C2CCCC2)C1=O.
What is the InChIKey of 1-cyclopentyl-3-methylpyrrole-2,5-dione?
The InChIKey is VJGCCFQIMAAKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-7-6-9(12)11(10(7)13)8-4-2-3-5-8/h6,8H,2-5H2,1H3.
What are the key properties of 1-cyclopentyl-3-methylpyrrole-2,5-dione?
1-cyclopentyl-3-methylpyrrole-2,5-dione has a molecular weight of 179.22 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-methylpyrrole-2,5-dione is sourced from PubChem (CID 19616582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).