3a,4,5,9b-tetrahydro-1H-cyclopenta[a]naphthalene

C13H14 — CID 91378246

IUPAC3a,4,5,9b-tetrahydro-1H-cyclopenta[a]naphthalene
SMILESC1=CC2CCc3ccccc3C2C1
InChIInChI=1S/C13H14/c1-2-6-12-10(4-1)8-9-11-5-3-7-13(11)12/h1-6,11,13H,7-9H2
InChIKeyFKYCLDYGRGQHDW-UHFFFAOYSA-N
MW170.25 g/mol
LogP3.29
Rot. Bonds

About 3a,4,5,9b-tetrahydro-1H-cyclopenta[a]naphthalene

3a,4,5,9b-tetrahydro-1H-cyclopenta[a]naphthalene (PubChem CID 91378246) has the molecular formula C13H14 and a molecular weight of 170.25 g/mol. Its IUPAC name is 3a,4,5,9b-tetrahydro-1H-cyclopenta[a]naphthalene.

Molecular Properties

Compound Name3a,4,5,9b-tetrahydro-1H-cyclopenta[a]naphthalene
PubChem CID91378246
Molecular FormulaC13H14
Molecular Weight170.25 g/mol
Exact Mass170.11
IUPAC Name3a,4,5,9b-tetrahydro-1H-cyclopenta[a]naphthalene
SMILESC1=CC2CCc3ccccc3C2C1
InChIInChI=1S/C13H14/c1-2-6-12-10(4-1)8-9-11-5-3-7-13(11)12/h1-6,11,13H,7-9H2
InChIKeyFKYCLDYGRGQHDW-UHFFFAOYSA-N
XLogP3.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3a,4,5,9b-tetrahydro-1H-cyclopenta[a]naphthalene?
The IUPAC name of 3a,4,5,9b-tetrahydro-1H-cyclopenta[a]naphthalene (CID 91378246) is 3a,4,5,9b-tetrahydro-1H-cyclopenta[a]naphthalene.
What is the SMILES notation for 3a,4,5,9b-tetrahydro-1H-cyclopenta[a]naphthalene?
The canonical SMILES for 3a,4,5,9b-tetrahydro-1H-cyclopenta[a]naphthalene is C1=CC2CCc3ccccc3C2C1.
What is the InChIKey of 3a,4,5,9b-tetrahydro-1H-cyclopenta[a]naphthalene?
The InChIKey is FKYCLDYGRGQHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14/c1-2-6-12-10(4-1)8-9-11-5-3-7-13(11)12/h1-6,11,13H,7-9H2.
What are the key properties of 3a,4,5,9b-tetrahydro-1H-cyclopenta[a]naphthalene?
3a,4,5,9b-tetrahydro-1H-cyclopenta[a]naphthalene has a molecular weight of 170.25 g/mol, XLogP of 3.29, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3a,4,5,9b-tetrahydro-1H-cyclopenta[a]naphthalene is sourced from PubChem (CID 91378246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).