2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-2-ide

C13H21- — CID 59979364

IUPAC2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-2-ide
SMILES[CH-]1CC2CCC3CCCCC3C2C1
InChIInChI=1S/C13H21/c1-2-6-12-10(4-1)8-9-11-5-3-7-13(11)12/h3,10-13H,1-2,4-9H2/q-1
InChIKeyUUKVVPVJIPHRHC-UHFFFAOYSA-N
MW177.31 g/mol
LogP3.82
Rot. Bonds

About 2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-2-ide

2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-2-ide (PubChem CID 59979364) has the molecular formula C13H21- and a molecular weight of 177.31 g/mol. Its IUPAC name is 2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-2-ide.

Molecular Properties

Compound Name2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-2-ide
PubChem CID59979364
Molecular FormulaC13H21-
Molecular Weight177.31 g/mol
Exact Mass177.16
IUPAC Name2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-2-ide
SMILES[CH-]1CC2CCC3CCCCC3C2C1
InChIInChI=1S/C13H21/c1-2-6-12-10(4-1)8-9-11-5-3-7-13(11)12/h3,10-13H,1-2,4-9H2/q-1
InChIKeyUUKVVPVJIPHRHC-UHFFFAOYSA-N
XLogP3.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.31
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-2-ide 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 2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-2-ide?
The IUPAC name of 2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-2-ide (CID 59979364) is 2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-2-ide.
What is the SMILES notation for 2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-2-ide?
The canonical SMILES for 2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-2-ide is [CH-]1CC2CCC3CCCCC3C2C1.
What is the InChIKey of 2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-2-ide?
The InChIKey is UUKVVPVJIPHRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21/c1-2-6-12-10(4-1)8-9-11-5-3-7-13(11)12/h3,10-13H,1-2,4-9H2/q-1.
What are the key properties of 2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-2-ide?
2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-2-ide has a molecular weight of 177.31 g/mol, XLogP of 3.82, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-cyclopenta[a]naphthalen-2-ide is sourced from PubChem (CID 59979364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).