3-methyl-1-nonylpyrrole-2,5-dione

C14H23NO2 — CID 512824

IUPAC3-methyl-1-nonylpyrrole-2,5-dione
SMILESCCCCCCCCCN1C(=O)C=C(C)C1=O
InChIInChI=1S/C14H23NO2/c1-3-4-5-6-7-8-9-10-15-13(16)11-12(2)14(15)17/h11H,3-10H2,1-2H3
InChIKeyVFSPFAZQYIAAAH-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.05
Rot. Bonds8

About 3-methyl-1-nonylpyrrole-2,5-dione

3-methyl-1-nonylpyrrole-2,5-dione (PubChem CID 512824) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 3-methyl-1-nonylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-nonylpyrrole-2,5-dione
PubChem CID512824
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name3-methyl-1-nonylpyrrole-2,5-dione
SMILESCCCCCCCCCN1C(=O)C=C(C)C1=O
InChIInChI=1S/C14H23NO2/c1-3-4-5-6-7-8-9-10-15-13(16)11-12(2)14(15)17/h11H,3-10H2,1-2H3
InChIKeyVFSPFAZQYIAAAH-UHFFFAOYSA-N
XLogP3.05
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

Octyl Maleimide
CID 512829
N-Nonylmaleimide
CID 512831
1-Hexadecylpyrrole-2,5-dione
CID 4526314
N-decyl maleimide
CID 512830
1H-Pyrrole-2,5-dione, 1-dodecyl-
CID 87191
1-octadecyl-1H-pyrrole-2,5-dione
CID 87118
3-Methyl-1-octyl-pyrrole-2,5-dione
CID 512826
1-cyclopentyl-3-methyl-2,5-dihydro-1H-pyrrole-2,5-dione
CID 19616582
1-Hexyl-3,4-dimethylpyrrole-2,5-dione
CID 54233146
3,4-Dimethyl-1-octylpyrrole-2,5-dione
CID 76308748
1H-Pyrrole-2,5-dione, 1-heptyl-
CID 3458545
1-Tetradecyl-pyrrole-2,5-dione
CID 5224381

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-nonylpyrrole-2,5-dione?
The IUPAC name of 3-methyl-1-nonylpyrrole-2,5-dione (CID 512824) is 3-methyl-1-nonylpyrrole-2,5-dione.
What is the SMILES notation for 3-methyl-1-nonylpyrrole-2,5-dione?
The canonical SMILES for 3-methyl-1-nonylpyrrole-2,5-dione is CCCCCCCCCN1C(=O)C=C(C)C1=O.
What is the InChIKey of 3-methyl-1-nonylpyrrole-2,5-dione?
The InChIKey is VFSPFAZQYIAAAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-3-4-5-6-7-8-9-10-15-13(16)11-12(2)14(15)17/h11H,3-10H2,1-2H3.
What are the key properties of 3-methyl-1-nonylpyrrole-2,5-dione?
3-methyl-1-nonylpyrrole-2,5-dione has a molecular weight of 237.34 g/mol, XLogP of 3.05, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-nonylpyrrole-2,5-dione is sourced from PubChem (CID 512824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).