6-(cyclobuten-1-yl)-2-hydroxycyclohepta-2,4,6-trien-1-one

C11H10O2 — CID 158372250

IUPAC6-(cyclobuten-1-yl)-2-hydroxycyclohepta-2,4,6-trien-1-one
SMILESO=c1cc(C2=CCC2)cccc1O
InChIInChI=1S/C11H10O2/c12-10-6-2-5-9(7-11(10)13)8-3-1-4-8/h2-3,5-7H,1,4H2,(H,12,13)
InChIKeyJIYMOAAGDPYGIV-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.93
Rot. Bonds1

About 6-(cyclobuten-1-yl)-2-hydroxycyclohepta-2,4,6-trien-1-one

6-(cyclobuten-1-yl)-2-hydroxycyclohepta-2,4,6-trien-1-one (PubChem CID 158372250) has the molecular formula C11H10O2 and a molecular weight of 174.20 g/mol. Its IUPAC name is 6-(cyclobuten-1-yl)-2-hydroxycyclohepta-2,4,6-trien-1-one.

Molecular Properties

Compound Name6-(cyclobuten-1-yl)-2-hydroxycyclohepta-2,4,6-trien-1-one
PubChem CID158372250
Molecular FormulaC11H10O2
Molecular Weight174.20 g/mol
Exact Mass174.07
IUPAC Name6-(cyclobuten-1-yl)-2-hydroxycyclohepta-2,4,6-trien-1-one
SMILESO=c1cc(C2=CCC2)cccc1O
InChIInChI=1S/C11H10O2/c12-10-6-2-5-9(7-11(10)13)8-3-1-4-8/h2-3,5-7H,1,4H2,(H,12,13)
InChIKeyJIYMOAAGDPYGIV-UHFFFAOYSA-N
XLogP1.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclobuten-1-yl)-2-hydroxycyclohepta-2,4,6-trien-1-one?
The IUPAC name of 6-(cyclobuten-1-yl)-2-hydroxycyclohepta-2,4,6-trien-1-one (CID 158372250) is 6-(cyclobuten-1-yl)-2-hydroxycyclohepta-2,4,6-trien-1-one.
What is the SMILES notation for 6-(cyclobuten-1-yl)-2-hydroxycyclohepta-2,4,6-trien-1-one?
The canonical SMILES for 6-(cyclobuten-1-yl)-2-hydroxycyclohepta-2,4,6-trien-1-one is O=c1cc(C2=CCC2)cccc1O.
What is the InChIKey of 6-(cyclobuten-1-yl)-2-hydroxycyclohepta-2,4,6-trien-1-one?
The InChIKey is JIYMOAAGDPYGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O2/c12-10-6-2-5-9(7-11(10)13)8-3-1-4-8/h2-3,5-7H,1,4H2,(H,12,13).
What are the key properties of 6-(cyclobuten-1-yl)-2-hydroxycyclohepta-2,4,6-trien-1-one?
6-(cyclobuten-1-yl)-2-hydroxycyclohepta-2,4,6-trien-1-one has a molecular weight of 174.20 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclobuten-1-yl)-2-hydroxycyclohepta-2,4,6-trien-1-one is sourced from PubChem (CID 158372250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).