3,4-dihydrocyclopenta[a]naphthalen-5-one

C13H10O — CID 22341653

IUPAC3,4-dihydrocyclopenta[a]naphthalen-5-one
SMILESO=C1CC2=C(C=CC2)c2ccccc21
InChIInChI=1S/C13H10O/c14-13-8-9-4-3-7-10(9)11-5-1-2-6-12(11)13/h1-3,5-7H,4,8H2
InChIKeyNDSJVQMRBFHTSX-UHFFFAOYSA-N
MW182.22 g/mol
LogP2.99
Rot. Bonds

About 3,4-dihydrocyclopenta[a]naphthalen-5-one

3,4-dihydrocyclopenta[a]naphthalen-5-one (PubChem CID 22341653) has the molecular formula C13H10O and a molecular weight of 182.22 g/mol. Its IUPAC name is 3,4-dihydrocyclopenta[a]naphthalen-5-one.

Molecular Properties

Compound Name3,4-dihydrocyclopenta[a]naphthalen-5-one
PubChem CID22341653
Molecular FormulaC13H10O
Molecular Weight182.22 g/mol
Exact Mass182.07
IUPAC Name3,4-dihydrocyclopenta[a]naphthalen-5-one
SMILESO=C1CC2=C(C=CC2)c2ccccc21
InChIInChI=1S/C13H10O/c14-13-8-9-4-3-7-10(9)11-5-1-2-6-12(11)13/h1-3,5-7H,4,8H2
InChIKeyNDSJVQMRBFHTSX-UHFFFAOYSA-N
XLogP2.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydrocyclopenta[a]naphthalen-5-one?
The IUPAC name of 3,4-dihydrocyclopenta[a]naphthalen-5-one (CID 22341653) is 3,4-dihydrocyclopenta[a]naphthalen-5-one.
What is the SMILES notation for 3,4-dihydrocyclopenta[a]naphthalen-5-one?
The canonical SMILES for 3,4-dihydrocyclopenta[a]naphthalen-5-one is O=C1CC2=C(C=CC2)c2ccccc21.
What is the InChIKey of 3,4-dihydrocyclopenta[a]naphthalen-5-one?
The InChIKey is NDSJVQMRBFHTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O/c14-13-8-9-4-3-7-10(9)11-5-1-2-6-12(11)13/h1-3,5-7H,4,8H2.
What are the key properties of 3,4-dihydrocyclopenta[a]naphthalen-5-one?
3,4-dihydrocyclopenta[a]naphthalen-5-one has a molecular weight of 182.22 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydrocyclopenta[a]naphthalen-5-one is sourced from PubChem (CID 22341653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).