cyclopenta[a]azulen-3-one;ethane

C15H14O — CID 158513758

IUPACcyclopenta[a]azulen-3-one;ethane
SMILESCC.O=C1C=Cc2cc3cccccc-3c21
InChIInChI=1S/C13H8O.C2H6/c14-12-7-6-10-8-9-4-2-1-3-5-11(9)13(10)12;1-2/h1-8H;1-2H3
InChIKeyHLJKKPXNRPEDFM-UHFFFAOYSA-N
MW210.28 g/mol
LogP4.03
Rot. Bonds

About cyclopenta[a]azulen-3-one;ethane

cyclopenta[a]azulen-3-one;ethane (PubChem CID 158513758) has the molecular formula C15H14O and a molecular weight of 210.28 g/mol. Its IUPAC name is cyclopenta[a]azulen-3-one;ethane.

Molecular Properties

Compound Namecyclopenta[a]azulen-3-one;ethane
PubChem CID158513758
Molecular FormulaC15H14O
Molecular Weight210.28 g/mol
Exact Mass210.10
IUPAC Namecyclopenta[a]azulen-3-one;ethane
SMILESCC.O=C1C=Cc2cc3cccccc-3c21
InChIInChI=1S/C13H8O.C2H6/c14-12-7-6-10-8-9-4-2-1-3-5-11(9)13(10)12;1-2/h1-8H;1-2H3
InChIKeyHLJKKPXNRPEDFM-UHFFFAOYSA-N
XLogP4.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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hydron;naphthalene-1,4-dione
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gold;naphthalene-1,4-dione
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CID 18935707
tricyclo[6.6.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene
CID 101119071
1,8-diphenylanthracene-9,10-dione
CID 12637584
5-phenylsulfanylinden-1-one
CID 141147197
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CID 158550617

Frequently Asked Questions

What is the IUPAC name of cyclopenta[a]azulen-3-one;ethane?
The IUPAC name of cyclopenta[a]azulen-3-one;ethane (CID 158513758) is cyclopenta[a]azulen-3-one;ethane.
What is the SMILES notation for cyclopenta[a]azulen-3-one;ethane?
The canonical SMILES for cyclopenta[a]azulen-3-one;ethane is CC.O=C1C=Cc2cc3cccccc-3c21.
What is the InChIKey of cyclopenta[a]azulen-3-one;ethane?
The InChIKey is HLJKKPXNRPEDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8O.C2H6/c14-12-7-6-10-8-9-4-2-1-3-5-11(9)13(10)12;1-2/h1-8H;1-2H3.
What are the key properties of cyclopenta[a]azulen-3-one;ethane?
cyclopenta[a]azulen-3-one;ethane has a molecular weight of 210.28 g/mol, XLogP of 4.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta[a]azulen-3-one;ethane is sourced from PubChem (CID 158513758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).