1-cyclohexylpyrrole-2,5-dione;3-methylfluoranthene

C27H25NO2 — CID 24939025

IUPAC1-cyclohexylpyrrole-2,5-dione;3-methylfluoranthene
SMILESCc1ccc2c3c(cccc13)-c1ccccc1-2.O=C1C=CC(=O)N1C1CCCCC1
InChIInChI=1S/C17H12.C10H13NO2/c1-11-9-10-16-14-6-3-2-5-13(14)15-8-4-7-12(11)17(15)16;12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h2-10H,1H3;6-8H,1-5H2
InChIKeyMVQCWZJEQGMDPF-UHFFFAOYSA-N
MW395.50 g/mol
LogP6.04
Rot. Bonds1

About 1-cyclohexylpyrrole-2,5-dione;3-methylfluoranthene

1-cyclohexylpyrrole-2,5-dione;3-methylfluoranthene (PubChem CID 24939025) has the molecular formula C27H25NO2 and a molecular weight of 395.50 g/mol. Its IUPAC name is 1-cyclohexylpyrrole-2,5-dione;3-methylfluoranthene.

Molecular Properties

Compound Name1-cyclohexylpyrrole-2,5-dione;3-methylfluoranthene
PubChem CID24939025
Molecular FormulaC27H25NO2
Molecular Weight395.50 g/mol
Exact Mass395.19
IUPAC Name1-cyclohexylpyrrole-2,5-dione;3-methylfluoranthene
SMILESCc1ccc2c3c(cccc13)-c1ccccc1-2.O=C1C=CC(=O)N1C1CCCCC1
InChIInChI=1S/C17H12.C10H13NO2/c1-11-9-10-16-14-6-3-2-5-13(14)15-8-4-7-12(11)17(15)16;12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h2-10H,1H3;6-8H,1-5H2
InChIKeyMVQCWZJEQGMDPF-UHFFFAOYSA-N
XLogP6.04
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.50
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexylpyrrole-2,5-dione;3-methylfluoranthene?
The IUPAC name of 1-cyclohexylpyrrole-2,5-dione;3-methylfluoranthene (CID 24939025) is 1-cyclohexylpyrrole-2,5-dione;3-methylfluoranthene.
What is the SMILES notation for 1-cyclohexylpyrrole-2,5-dione;3-methylfluoranthene?
The canonical SMILES for 1-cyclohexylpyrrole-2,5-dione;3-methylfluoranthene is Cc1ccc2c3c(cccc13)-c1ccccc1-2.O=C1C=CC(=O)N1C1CCCCC1.
What is the InChIKey of 1-cyclohexylpyrrole-2,5-dione;3-methylfluoranthene?
The InChIKey is MVQCWZJEQGMDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12.C10H13NO2/c1-11-9-10-16-14-6-3-2-5-13(14)15-8-4-7-12(11)17(15)16;12-9-6-7-10(13)11(9)8-4-2-1-3-5-8/h2-10H,1H3;6-8H,1-5H2.
What are the key properties of 1-cyclohexylpyrrole-2,5-dione;3-methylfluoranthene?
1-cyclohexylpyrrole-2,5-dione;3-methylfluoranthene has a molecular weight of 395.50 g/mol, XLogP of 6.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexylpyrrole-2,5-dione;3-methylfluoranthene is sourced from PubChem (CID 24939025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).