6-cyclohex-2-en-1-yl-7,8-dihydro-6H-benzo[7]annulene-5,9-dione

C17H18O2 — CID 91409282

IUPAC6-cyclohex-2-en-1-yl-7,8-dihydro-6H-benzo[7]annulene-5,9-dione
SMILESO=C1CCC(C2C=CCCC2)C(=O)c2ccccc21
InChIInChI=1S/C17H18O2/c18-16-11-10-13(12-6-2-1-3-7-12)17(19)15-9-5-4-8-14(15)16/h2,4-6,8-9,12-13H,1,3,7,10-11H2
InChIKeyOAKRFGLMKLMQLJ-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.82
Rot. Bonds1

About 6-cyclohex-2-en-1-yl-7,8-dihydro-6H-benzo[7]annulene-5,9-dione

6-cyclohex-2-en-1-yl-7,8-dihydro-6H-benzo[7]annulene-5,9-dione (PubChem CID 91409282) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 6-cyclohex-2-en-1-yl-7,8-dihydro-6H-benzo[7]annulene-5,9-dione.

Molecular Properties

Compound Name6-cyclohex-2-en-1-yl-7,8-dihydro-6H-benzo[7]annulene-5,9-dione
PubChem CID91409282
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name6-cyclohex-2-en-1-yl-7,8-dihydro-6H-benzo[7]annulene-5,9-dione
SMILESO=C1CCC(C2C=CCCC2)C(=O)c2ccccc21
InChIInChI=1S/C17H18O2/c18-16-11-10-13(12-6-2-1-3-7-12)17(19)15-9-5-4-8-14(15)16/h2,4-6,8-9,12-13H,1,3,7,10-11H2
InChIKeyOAKRFGLMKLMQLJ-UHFFFAOYSA-N
XLogP3.82
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-cyclohex-2-en-1-yl-7,8-dihydro-6H-benzo[7]annulene-5,9-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-cyclohex-2-en-1-yl-7,8-dihydro-6H-benzo[7]annulene-5,9-dione?
The IUPAC name of 6-cyclohex-2-en-1-yl-7,8-dihydro-6H-benzo[7]annulene-5,9-dione (CID 91409282) is 6-cyclohex-2-en-1-yl-7,8-dihydro-6H-benzo[7]annulene-5,9-dione.
What is the SMILES notation for 6-cyclohex-2-en-1-yl-7,8-dihydro-6H-benzo[7]annulene-5,9-dione?
The canonical SMILES for 6-cyclohex-2-en-1-yl-7,8-dihydro-6H-benzo[7]annulene-5,9-dione is O=C1CCC(C2C=CCCC2)C(=O)c2ccccc21.
What is the InChIKey of 6-cyclohex-2-en-1-yl-7,8-dihydro-6H-benzo[7]annulene-5,9-dione?
The InChIKey is OAKRFGLMKLMQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c18-16-11-10-13(12-6-2-1-3-7-12)17(19)15-9-5-4-8-14(15)16/h2,4-6,8-9,12-13H,1,3,7,10-11H2.
What are the key properties of 6-cyclohex-2-en-1-yl-7,8-dihydro-6H-benzo[7]annulene-5,9-dione?
6-cyclohex-2-en-1-yl-7,8-dihydro-6H-benzo[7]annulene-5,9-dione has a molecular weight of 254.33 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohex-2-en-1-yl-7,8-dihydro-6H-benzo[7]annulene-5,9-dione is sourced from PubChem (CID 91409282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).