1-(3-oxopentyl)pyrrole-2,5-dione

C9H11NO3 — CID 22886929

IUPAC1-(3-oxopentyl)pyrrole-2,5-dione
SMILESCCC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C9H11NO3/c1-2-7(11)5-6-10-8(12)3-4-9(10)13/h3-4H,2,5-6H2,1H3
InChIKeyJMDWAOREMHCHOV-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.28
Rot. Bonds4

About 1-(3-oxopentyl)pyrrole-2,5-dione

1-(3-oxopentyl)pyrrole-2,5-dione (PubChem CID 22886929) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 1-(3-oxopentyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(3-oxopentyl)pyrrole-2,5-dione
PubChem CID22886929
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name1-(3-oxopentyl)pyrrole-2,5-dione
SMILESCCC(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C9H11NO3/c1-2-7(11)5-6-10-8(12)3-4-9(10)13/h3-4H,2,5-6H2,1H3
InChIKeyJMDWAOREMHCHOV-UHFFFAOYSA-N
XLogP0.28
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-Butylmaleimide
CID 239780
1-Hexylpyrrole-2,5-dione
CID 464134
1-pentyl-2,5-dihydro-1H-pyrrole-2,5-dione
CID 4168664
1-(3-oxobutyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 53802263
1H-Pyrrole-2,5-dione, 1-heptyl-
CID 3458545
1-[(3R)-3-fluoropentyl]pyrrole-2,5-dione
CID 125475527
1-[(3S)-3-fluoropentyl]pyrrole-2,5-dione
CID 125475529
Ethene;1-propylpyrrole-2,5-dione
CID 285261
1-Hexan-2-ylpyrrole-2,5-dione
CID 12858662
1-(3-Oxopent-4-enyl)pyrrole-2,5-dione
CID 17973879
3-Methyl-1-pentylpyrrole-2,5-dione
CID 19016843
1-(5-Oxohexyl)pyrrole-2,5-dione
CID 20591599

Frequently Asked Questions

What is the IUPAC name of 1-(3-oxopentyl)pyrrole-2,5-dione?
The IUPAC name of 1-(3-oxopentyl)pyrrole-2,5-dione (CID 22886929) is 1-(3-oxopentyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(3-oxopentyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(3-oxopentyl)pyrrole-2,5-dione is CCC(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 1-(3-oxopentyl)pyrrole-2,5-dione?
The InChIKey is JMDWAOREMHCHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-2-7(11)5-6-10-8(12)3-4-9(10)13/h3-4H,2,5-6H2,1H3.
What are the key properties of 1-(3-oxopentyl)pyrrole-2,5-dione?
1-(3-oxopentyl)pyrrole-2,5-dione has a molecular weight of 181.19 g/mol, XLogP of 0.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-oxopentyl)pyrrole-2,5-dione is sourced from PubChem (CID 22886929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).