8H-azulen-1-one

C10H8O — CID 163209393

IUPAC8H-azulen-1-one
SMILESO=C1C=CC2=C1CC=CC=C2
InChIInChI=1S/C10H8O/c11-10-7-6-8-4-2-1-3-5-9(8)10/h1-4,6-7H,5H2
InChIKeyKLKZYVGADHMJDX-UHFFFAOYSA-N
MW144.17 g/mol
LogP1.94
Rot. Bonds

About 8H-azulen-1-one

8H-azulen-1-one (PubChem CID 163209393) has the molecular formula C10H8O and a molecular weight of 144.17 g/mol. Its IUPAC name is 8H-azulen-1-one.

Molecular Properties

Compound Name8H-azulen-1-one
PubChem CID163209393
Molecular FormulaC10H8O
Molecular Weight144.17 g/mol
Exact Mass144.06
IUPAC Name8H-azulen-1-one
SMILESO=C1C=CC2=C1CC=CC=C2
InChIInChI=1S/C10H8O/c11-10-7-6-8-4-2-1-3-5-9(8)10/h1-4,6-7H,5H2
InChIKeyKLKZYVGADHMJDX-UHFFFAOYSA-N
XLogP1.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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cyclohexa-2,4-dien-1-one;octahydrate
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ethane;1,3,4,5-tetrahydrocyclohepta[b]pyridin-2-one
CID 143845418
2-[1-(4-bromophenyl)-3-methylcyclobutyl]-8H-cyclohepta[c]pyrrole-1,3-dione
CID 143906558
hydrazine;5-sulfonylcyclohexa-1,3-diene
CID 172693673
cyclotetradeca-2,4,8,12-tetraen-1-one
CID 151266778
anthracene;cyclohexa-2,4-dien-1-one
CID 174866475
8,9-dihydro-4H-fluorene-1,5-dione
CID 70167038
5-methylidenecyclohexa-1,3-diene;dihydrobromide
CID 175171179
cyclohexa-3,5-diene-1,2-dione;iron
CID 67784673
1-ethyl-2-methylcyclohepta-1,3,5-triene
CID 143683160
2-methylcycloocta-1,3,5-trien-1-amine
CID 67050786

Frequently Asked Questions

What is the IUPAC name of 8H-azulen-1-one?
The IUPAC name of 8H-azulen-1-one (CID 163209393) is 8H-azulen-1-one.
What is the SMILES notation for 8H-azulen-1-one?
The canonical SMILES for 8H-azulen-1-one is O=C1C=CC2=C1CC=CC=C2.
What is the InChIKey of 8H-azulen-1-one?
The InChIKey is KLKZYVGADHMJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O/c11-10-7-6-8-4-2-1-3-5-9(8)10/h1-4,6-7H,5H2.
What are the key properties of 8H-azulen-1-one?
8H-azulen-1-one has a molecular weight of 144.17 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8H-azulen-1-one is sourced from PubChem (CID 163209393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).