1-(4-oxopentyl)pyrrole-2,5-dione

C9H11NO3 — CID 59687240

IUPAC1-(4-oxopentyl)pyrrole-2,5-dione
SMILESCC(=O)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C9H11NO3/c1-7(11)3-2-6-10-8(12)4-5-9(10)13/h4-5H,2-3,6H2,1H3
InChIKeyWTJGBWWDWHDOSV-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.28
Rot. Bonds4

About 1-(4-oxopentyl)pyrrole-2,5-dione

1-(4-oxopentyl)pyrrole-2,5-dione (PubChem CID 59687240) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 1-(4-oxopentyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(4-oxopentyl)pyrrole-2,5-dione
PubChem CID59687240
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name1-(4-oxopentyl)pyrrole-2,5-dione
SMILESCC(=O)CCCN1C(=O)C=CC1=O
InChIInChI=1S/C9H11NO3/c1-7(11)3-2-6-10-8(12)4-5-9(10)13/h4-5H,2-3,6H2,1H3
InChIKeyWTJGBWWDWHDOSV-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
Pyrrolidin-2-one, N-crotonoyl-
CID 5365844
1-[(3R)-3-fluoropentyl]pyrrole-2,5-dione
CID 125475527
1-[(3S)-3-fluoropentyl]pyrrole-2,5-dione
CID 125475529
N-Methyl-N-(4-oxohex-5-en-1-yl)prop-2-enamide
CID 14106557
1-But-2-enoylpyrrolidin-2-one
CID 549610
1-(5-Oxohexyl)pyrrole-2,5-dione
CID 20591599
1-(6-Oxoheptyl)pyrrole-2,5-dione
CID 20678811
1-(2,5-Dioxohexyl)pyrrole-2,5-dione
CID 21284891

Frequently Asked Questions

What is the IUPAC name of 1-(4-oxopentyl)pyrrole-2,5-dione?
The IUPAC name of 1-(4-oxopentyl)pyrrole-2,5-dione (CID 59687240) is 1-(4-oxopentyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(4-oxopentyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(4-oxopentyl)pyrrole-2,5-dione is CC(=O)CCCN1C(=O)C=CC1=O.
What is the InChIKey of 1-(4-oxopentyl)pyrrole-2,5-dione?
The InChIKey is WTJGBWWDWHDOSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-7(11)3-2-6-10-8(12)4-5-9(10)13/h4-5H,2-3,6H2,1H3.
What are the key properties of 1-(4-oxopentyl)pyrrole-2,5-dione?
1-(4-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-(4-oxopentyl)pyrrole-2,5-dione is sourced from PubChem (CID 59687240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).