1-(4-methyl-3-oxopentyl)pyrrole-2,5-dione

C10H13NO3 — CID 23385993

IUPAC1-(4-methyl-3-oxopentyl)pyrrole-2,5-dione
SMILESCC(C)C(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C10H13NO3/c1-7(2)8(12)5-6-11-9(13)3-4-10(11)14/h3-4,7H,5-6H2,1-2H3
InChIKeyJEAMVPPXSRXFPV-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.53
Rot. Bonds4

About 1-(4-methyl-3-oxopentyl)pyrrole-2,5-dione

1-(4-methyl-3-oxopentyl)pyrrole-2,5-dione (PubChem CID 23385993) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1-(4-methyl-3-oxopentyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(4-methyl-3-oxopentyl)pyrrole-2,5-dione
PubChem CID23385993
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name1-(4-methyl-3-oxopentyl)pyrrole-2,5-dione
SMILESCC(C)C(=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C10H13NO3/c1-7(2)8(12)5-6-11-9(13)3-4-10(11)14/h3-4,7H,5-6H2,1-2H3
InChIKeyJEAMVPPXSRXFPV-UHFFFAOYSA-N
XLogP0.53
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.53
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

1-(3-methylbutyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 2389943
1-(3-oxobutyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 53802263
1,5-Bismaleimido-2 methyl pentane
CID 4519557
1-(1,1,1-Trifluoro-5-methyl-4-oxohexan-2-yl)pyrrole-2,5-dione
CID 164822010
3-Methyl-1-(3-oxobutyl)pyrrole-2,5-dione
CID 20692352
1-(4-Acetyl-5-oxohexyl)pyrrole-2,5-dione
CID 20740596
1-(2-Ethylhexyl)pyrrole-2,5-dione
CID 22323213
1-(3-Oxopentyl)pyrrole-2,5-dione
CID 22886929
1-(4-Methylpentyl)pyrrole-2,5-dione
CID 23529566
1-(Cyclobutylmethyl)pyrrole-2,5-dione
CID 43298728
1-(4-Methylpentan-2-yl)pyrrole-2,5-dione
CID 43372264
1-(4,4-Dimethylpentyl)pyrrole-2,5-dione
CID 57611655

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-3-oxopentyl)pyrrole-2,5-dione?
The IUPAC name of 1-(4-methyl-3-oxopentyl)pyrrole-2,5-dione (CID 23385993) is 1-(4-methyl-3-oxopentyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(4-methyl-3-oxopentyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(4-methyl-3-oxopentyl)pyrrole-2,5-dione is CC(C)C(=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of 1-(4-methyl-3-oxopentyl)pyrrole-2,5-dione?
The InChIKey is JEAMVPPXSRXFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-7(2)8(12)5-6-11-9(13)3-4-10(11)14/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 1-(4-methyl-3-oxopentyl)pyrrole-2,5-dione?
1-(4-methyl-3-oxopentyl)pyrrole-2,5-dione has a molecular weight of 195.22 g/mol, XLogP of 0.53, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-3-oxopentyl)pyrrole-2,5-dione is sourced from PubChem (CID 23385993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).