9H-cyclopenta[b]naphthalene

C13H10 — CID 66779977

IUPAC9H-cyclopenta[b]naphthalene
SMILESC1=CC2=Cc3ccccc3CC2=C1
InChIInChI=1S/C13H10/c1-2-5-11-9-13-7-3-6-12(13)8-10(11)4-1/h1-8H,9H2
InChIKeyVGWCMMMUQPLVGN-UHFFFAOYSA-N
MW166.22 g/mol
LogP3.12
Rot. Bonds

About 9H-cyclopenta[b]naphthalene

9H-cyclopenta[b]naphthalene (PubChem CID 66779977) has the molecular formula C13H10 and a molecular weight of 166.22 g/mol. Its IUPAC name is 9H-cyclopenta[b]naphthalene.

Molecular Properties

Compound Name9H-cyclopenta[b]naphthalene
PubChem CID66779977
Molecular FormulaC13H10
Molecular Weight166.22 g/mol
Exact Mass166.08
IUPAC Name9H-cyclopenta[b]naphthalene
SMILESC1=CC2=Cc3ccccc3CC2=C1
InChIInChI=1S/C13H10/c1-2-5-11-9-13-7-3-6-12(13)8-10(11)4-1/h1-8H,9H2
InChIKeyVGWCMMMUQPLVGN-UHFFFAOYSA-N
XLogP3.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 9H-cyclopenta[b]naphthalene?
The IUPAC name of 9H-cyclopenta[b]naphthalene (CID 66779977) is 9H-cyclopenta[b]naphthalene.
What is the SMILES notation for 9H-cyclopenta[b]naphthalene?
The canonical SMILES for 9H-cyclopenta[b]naphthalene is C1=CC2=Cc3ccccc3CC2=C1.
What is the InChIKey of 9H-cyclopenta[b]naphthalene?
The InChIKey is VGWCMMMUQPLVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10/c1-2-5-11-9-13-7-3-6-12(13)8-10(11)4-1/h1-8H,9H2.
What are the key properties of 9H-cyclopenta[b]naphthalene?
9H-cyclopenta[b]naphthalene has a molecular weight of 166.22 g/mol, XLogP of 3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-cyclopenta[b]naphthalene is sourced from PubChem (CID 66779977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).