2-ethoxy-3,6-dihydro-2H-azulen-1-one

C12H14O2 — CID 15001597

IUPAC2-ethoxy-3,6-dihydro-2H-azulen-1-one
SMILESCCOC1CC2=C(C=CCC=C2)C1=O
InChIInChI=1S/C12H14O2/c1-2-14-11-8-9-6-4-3-5-7-10(9)12(11)13/h4-7,11H,2-3,8H2,1H3
InChIKeyJQNMPPASFOGLPA-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.18
Rot. Bonds2

About 2-ethoxy-3,6-dihydro-2H-azulen-1-one

2-ethoxy-3,6-dihydro-2H-azulen-1-one (PubChem CID 15001597) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2-ethoxy-3,6-dihydro-2H-azulen-1-one.

Molecular Properties

Compound Name2-ethoxy-3,6-dihydro-2H-azulen-1-one
PubChem CID15001597
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name2-ethoxy-3,6-dihydro-2H-azulen-1-one
SMILESCCOC1CC2=C(C=CCC=C2)C1=O
InChIInChI=1S/C12H14O2/c1-2-14-11-8-9-6-4-3-5-7-10(9)12(11)13/h4-7,11H,2-3,8H2,1H3
InChIKeyJQNMPPASFOGLPA-UHFFFAOYSA-N
XLogP2.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 12581929
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1-(4-Methyl-5-prop-2-enoyl-2,3-dihydrofuran-2-yl)propan-1-one
CID 91015823
5-Ethenyl-2-methoxycyclohept-4-en-1-one
CID 11286669
2-methyl-8H-cyclohepta[b]furan-3-one
CID 13678841
5-Ethoxy-2-methyloct-2-en-4-one
CID 116707817
1-Cyclohexa-1,5-dien-1-yl-2-methoxypentan-3-one
CID 178167570

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3,6-dihydro-2H-azulen-1-one?
The IUPAC name of 2-ethoxy-3,6-dihydro-2H-azulen-1-one (CID 15001597) is 2-ethoxy-3,6-dihydro-2H-azulen-1-one.
What is the SMILES notation for 2-ethoxy-3,6-dihydro-2H-azulen-1-one?
The canonical SMILES for 2-ethoxy-3,6-dihydro-2H-azulen-1-one is CCOC1CC2=C(C=CCC=C2)C1=O.
What is the InChIKey of 2-ethoxy-3,6-dihydro-2H-azulen-1-one?
The InChIKey is JQNMPPASFOGLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-2-14-11-8-9-6-4-3-5-7-10(9)12(11)13/h4-7,11H,2-3,8H2,1H3.
What are the key properties of 2-ethoxy-3,6-dihydro-2H-azulen-1-one?
2-ethoxy-3,6-dihydro-2H-azulen-1-one has a molecular weight of 190.24 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3,6-dihydro-2H-azulen-1-one is sourced from PubChem (CID 15001597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).