1-cyclohexylpyrrole-2,5-dione;1H-indene

C19H21NO2 — CID 174803812

IUPAC1-cyclohexylpyrrole-2,5-dione;1H-indene
SMILESC1=Cc2ccccc2C1.O=C1C=CC(=O)N1C1CCCCC1
InChIInChI=1S/C10H13NO2.C9H8/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8;1-2-5-9-7-3-6-8(9)4-1/h6-8H,1-5H2;1-6H,7H2
InChIKeyBNCSDMUIDAPHET-UHFFFAOYSA-N
MW295.38 g/mol
LogP3.50
Rot. Bonds1

About 1-cyclohexylpyrrole-2,5-dione;1H-indene

1-cyclohexylpyrrole-2,5-dione;1H-indene (PubChem CID 174803812) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is 1-cyclohexylpyrrole-2,5-dione;1H-indene.

Molecular Properties

Compound Name1-cyclohexylpyrrole-2,5-dione;1H-indene
PubChem CID174803812
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name1-cyclohexylpyrrole-2,5-dione;1H-indene
SMILESC1=Cc2ccccc2C1.O=C1C=CC(=O)N1C1CCCCC1
InChIInChI=1S/C10H13NO2.C9H8/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8;1-2-5-9-7-3-6-8(9)4-1/h6-8H,1-5H2;1-6H,7H2
InChIKeyBNCSDMUIDAPHET-UHFFFAOYSA-N
XLogP3.50
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 53.50
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;1H-indene?
The IUPAC name of 1-cyclohexylpyrrole-2,5-dione;1H-indene (CID 174803812) is 1-cyclohexylpyrrole-2,5-dione;1H-indene.
What is the SMILES notation for 1-cyclohexylpyrrole-2,5-dione;1H-indene?
The canonical SMILES for 1-cyclohexylpyrrole-2,5-dione;1H-indene is C1=Cc2ccccc2C1.O=C1C=CC(=O)N1C1CCCCC1.
What is the InChIKey of 1-cyclohexylpyrrole-2,5-dione;1H-indene?
The InChIKey is BNCSDMUIDAPHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2.C9H8/c12-9-6-7-10(13)11(9)8-4-2-1-3-5-8;1-2-5-9-7-3-6-8(9)4-1/h6-8H,1-5H2;1-6H,7H2.
What are the key properties of 1-cyclohexylpyrrole-2,5-dione;1H-indene?
1-cyclohexylpyrrole-2,5-dione;1H-indene has a molecular weight of 295.38 g/mol, XLogP of 3.50, 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;1H-indene is sourced from PubChem (CID 174803812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).