7,8,9,9a-tetrahydro-4H-cyclopenta[b]naphthalene

C13H14 — CID 173020281

IUPAC7,8,9,9a-tetrahydro-4H-cyclopenta[b]naphthalene
SMILESC1=CC2CC3=C(C=CCC3)CC2=C1
InChIInChI=1S/C13H14/c1-2-5-11-9-13-7-3-6-12(13)8-10(11)4-1/h1,3-4,6-7,13H,2,5,8-9H2
InChIKeyNNPJXJBQYMMAOL-UHFFFAOYSA-N
MW170.26 g/mol
LogP3.54
Rot. Bonds

About 7,8,9,9a-tetrahydro-4H-cyclopenta[b]naphthalene

7,8,9,9a-tetrahydro-4H-cyclopenta[b]naphthalene (PubChem CID 173020281) has the molecular formula C13H14 and a molecular weight of 170.26 g/mol. Its IUPAC name is 7,8,9,9a-tetrahydro-4H-cyclopenta[b]naphthalene.

Molecular Properties

Compound Name7,8,9,9a-tetrahydro-4H-cyclopenta[b]naphthalene
PubChem CID173020281
Molecular FormulaC13H14
Molecular Weight170.26 g/mol
Exact Mass170.11
IUPAC Name7,8,9,9a-tetrahydro-4H-cyclopenta[b]naphthalene
SMILESC1=CC2CC3=C(C=CCC3)CC2=C1
InChIInChI=1S/C13H14/c1-2-5-11-9-13-7-3-6-12(13)8-10(11)4-1/h1,3-4,6-7,13H,2,5,8-9H2
InChIKeyNNPJXJBQYMMAOL-UHFFFAOYSA-N
XLogP3.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 7,8,9,9a-tetrahydro-4H-cyclopenta[b]naphthalene?
The IUPAC name of 7,8,9,9a-tetrahydro-4H-cyclopenta[b]naphthalene (CID 173020281) is 7,8,9,9a-tetrahydro-4H-cyclopenta[b]naphthalene.
What is the SMILES notation for 7,8,9,9a-tetrahydro-4H-cyclopenta[b]naphthalene?
The canonical SMILES for 7,8,9,9a-tetrahydro-4H-cyclopenta[b]naphthalene is C1=CC2CC3=C(C=CCC3)CC2=C1.
What is the InChIKey of 7,8,9,9a-tetrahydro-4H-cyclopenta[b]naphthalene?
The InChIKey is NNPJXJBQYMMAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14/c1-2-5-11-9-13-7-3-6-12(13)8-10(11)4-1/h1,3-4,6-7,13H,2,5,8-9H2.
What are the key properties of 7,8,9,9a-tetrahydro-4H-cyclopenta[b]naphthalene?
7,8,9,9a-tetrahydro-4H-cyclopenta[b]naphthalene has a molecular weight of 170.26 g/mol, XLogP of 3.54, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8,9,9a-tetrahydro-4H-cyclopenta[b]naphthalene is sourced from PubChem (CID 173020281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).