1-(9-methyl-8-oxododecyl)pyrrole-2,5-dione

C17H27NO3 — CID 122493730

IUPAC1-(9-methyl-8-oxododecyl)pyrrole-2,5-dione
SMILESCCCC(C)C(=O)CCCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C17H27NO3/c1-3-9-14(2)15(19)10-7-5-4-6-8-13-18-16(20)11-12-17(18)21/h11-12,14H,3-10,13H2,1-2H3
InChIKeyGFFWBFFVESSZIK-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.26
Rot. Bonds11

About 1-(9-methyl-8-oxododecyl)pyrrole-2,5-dione

1-(9-methyl-8-oxododecyl)pyrrole-2,5-dione (PubChem CID 122493730) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-(9-methyl-8-oxododecyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(9-methyl-8-oxododecyl)pyrrole-2,5-dione
PubChem CID122493730
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name1-(9-methyl-8-oxododecyl)pyrrole-2,5-dione
SMILESCCCC(C)C(=O)CCCCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C17H27NO3/c1-3-9-14(2)15(19)10-7-5-4-6-8-13-18-16(20)11-12-17(18)21/h11-12,14H,3-10,13H2,1-2H3
InChIKeyGFFWBFFVESSZIK-UHFFFAOYSA-N
XLogP3.26
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(9,10-dimethyloctadecyl)pyrrole-2,5-dione
CID 129182834
1-hexadecylpyrrole-2,5-dione
CID 4526314
5-(2,5-dioxopyrrol-1-yl)-2-methylpentanoic acid
CID 104683053
(4S)-4-methylnonan-5-one;(4R)-4-methylnonan-5-one
CID 162100012
ethane;1-(6-oxoheptyl)pyrrole-2,5-dione
CID 145323318
1-(4-methyldodecyl)pyrrole-2,5-dione
CID 70003100
6-(2,5-dioxopyrrol-1-yl)-2-methylhexanamide
CID 68727226
10-(2,5-dioxopyrrol-1-yl)decanamide
CID 134211555
13-(2,5-dioxopyrrol-1-yl)tridecanoic acid
CID 71336496
ethene;1-(6-oxoheptyl)pyrrole-2,5-dione
CID 144940769
6-(2,5-dioxopyrrol-1-yl)-N-ethylhexanamide
CID 59811725
6-(2,5-dioxopyrrol-1-yl)hexanoic acid;hydrochloride
CID 24763401

Frequently Asked Questions

What is the IUPAC name of 1-(9-methyl-8-oxododecyl)pyrrole-2,5-dione?
The IUPAC name of 1-(9-methyl-8-oxododecyl)pyrrole-2,5-dione (CID 122493730) is 1-(9-methyl-8-oxododecyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(9-methyl-8-oxododecyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(9-methyl-8-oxododecyl)pyrrole-2,5-dione is CCCC(C)C(=O)CCCCCCCN1C(=O)C=CC1=O.
What is the InChIKey of 1-(9-methyl-8-oxododecyl)pyrrole-2,5-dione?
The InChIKey is GFFWBFFVESSZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-3-9-14(2)15(19)10-7-5-4-6-8-13-18-16(20)11-12-17(18)21/h11-12,14H,3-10,13H2,1-2H3.
What are the key properties of 1-(9-methyl-8-oxododecyl)pyrrole-2,5-dione?
1-(9-methyl-8-oxododecyl)pyrrole-2,5-dione has a molecular weight of 293.41 g/mol, XLogP of 3.26, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(9-methyl-8-oxododecyl)pyrrole-2,5-dione is sourced from PubChem (CID 122493730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).