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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Related Compounds

2H-anthracene-1,9,10-trione
CID 53433123
tetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15),12-heptaene
CID 157096961
tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaene-2,11-dione
CID 163817575
2H-naphthalen-1-one;hydrobromide
CID 21419388
8H-cyclohepta[b]naphthalene-5,11-dione
CID 142997660
3,9-dihydrofluoren-4-one
CID 15012452
cobalt;bis(naphthalene-1,2,4-trione)
CID 70554472
heptacyclo[16.6.0.02,9.03,7.010,17.011,15.019,23]tetracosa-1,3(7),4,9,11(15),12,17,19(23),20-nonaene
CID 58130571
1-(dibromomethylidene)-2H-anthracene-9,10-dione
CID 141111128
3,4-dihydroxy-2H-naphthalen-1-one
CID 167681801
benzo[b][1]benzothiocine-10,12-dione
CID 13450297
ethane;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-one
CID 91187219

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).