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

C10H8O2 — CID 158091906

IUPAC6-(cyclopropen-1-yl)-2-hydroxycyclohepta-2,4,6-trien-1-one
SMILESO=c1cc(C2=CC2)cccc1O
InChIInChI=1S/C10H8O2/c11-9-3-1-2-8(6-10(9)12)7-4-5-7/h1-4,6H,5H2,(H,11,12)
InChIKeyPPHIBHNXZBRGER-UHFFFAOYSA-N
MW160.17 g/mol
LogP1.54
Rot. Bonds1

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

6-(cyclopropen-1-yl)-2-hydroxycyclohepta-2,4,6-trien-1-one (PubChem CID 158091906) has the molecular formula C10H8O2 and a molecular weight of 160.17 g/mol. Its IUPAC name is 6-(cyclopropen-1-yl)-2-hydroxycyclohepta-2,4,6-trien-1-one.

Molecular Properties

Compound Name6-(cyclopropen-1-yl)-2-hydroxycyclohepta-2,4,6-trien-1-one
PubChem CID158091906
Molecular FormulaC10H8O2
Molecular Weight160.17 g/mol
Exact Mass160.05
IUPAC Name6-(cyclopropen-1-yl)-2-hydroxycyclohepta-2,4,6-trien-1-one
SMILESO=c1cc(C2=CC2)cccc1O
InChIInChI=1S/C10H8O2/c11-9-3-1-2-8(6-10(9)12)7-4-5-7/h1-4,6H,5H2,(H,11,12)
InChIKeyPPHIBHNXZBRGER-UHFFFAOYSA-N
XLogP1.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-(cyclopropen-1-yl)-2-hydroxycyclohepta-2,4,6-trien-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropen-1-yl)-2-hydroxycyclohepta-2,4,6-trien-1-one?
The IUPAC name of 6-(cyclopropen-1-yl)-2-hydroxycyclohepta-2,4,6-trien-1-one (CID 158091906) is 6-(cyclopropen-1-yl)-2-hydroxycyclohepta-2,4,6-trien-1-one.
What is the SMILES notation for 6-(cyclopropen-1-yl)-2-hydroxycyclohepta-2,4,6-trien-1-one?
The canonical SMILES for 6-(cyclopropen-1-yl)-2-hydroxycyclohepta-2,4,6-trien-1-one is O=c1cc(C2=CC2)cccc1O.
What is the InChIKey of 6-(cyclopropen-1-yl)-2-hydroxycyclohepta-2,4,6-trien-1-one?
The InChIKey is PPHIBHNXZBRGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2/c11-9-3-1-2-8(6-10(9)12)7-4-5-7/h1-4,6H,5H2,(H,11,12).
What are the key properties of 6-(cyclopropen-1-yl)-2-hydroxycyclohepta-2,4,6-trien-1-one?
6-(cyclopropen-1-yl)-2-hydroxycyclohepta-2,4,6-trien-1-one has a molecular weight of 160.17 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropen-1-yl)-2-hydroxycyclohepta-2,4,6-trien-1-one is sourced from PubChem (CID 158091906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).