ethene;2-hydroxycyclohepta-2,4,6-trien-1-one

C9H10O2 — CID 88801051

IUPACethene;2-hydroxycyclohepta-2,4,6-trien-1-one
SMILESC=C.O=c1cccccc1O
InChIInChI=1S/C7H6O2.C2H4/c8-6-4-2-1-3-5-7(6)9;1-2/h1-5H,(H,8,9);1-2H2
InChIKeyXRTPHYSBNYSMCJ-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.55
Rot. Bonds

About ethene;2-hydroxycyclohepta-2,4,6-trien-1-one

ethene;2-hydroxycyclohepta-2,4,6-trien-1-one (PubChem CID 88801051) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is ethene;2-hydroxycyclohepta-2,4,6-trien-1-one.

Molecular Properties

Compound Nameethene;2-hydroxycyclohepta-2,4,6-trien-1-one
PubChem CID88801051
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Nameethene;2-hydroxycyclohepta-2,4,6-trien-1-one
SMILESC=C.O=c1cccccc1O
InChIInChI=1S/C7H6O2.C2H4/c8-6-4-2-1-3-5-7(6)9;1-2/h1-5H,(H,8,9);1-2H2
InChIKeyXRTPHYSBNYSMCJ-UHFFFAOYSA-N
XLogP1.55
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-hydroxycyclohepta-2,4,6-trien-1-one;nickel(2+)
CID 23036585
sodium 2-hydroxycyclohepta-2,4,6-trien-1-one
CID 23036587
calcium;hydride;2-hydroxycyclohepta-2,4,6-trien-1-one
CID 173366616
dicopper;2-hydroxycyclohepta-2,4,6-trien-1-one;disulfate
CID 173011128
cyclohepta-4,6-diene-1,2,3-trione;2-hydroxycyclohepta-2,4,6-trien-1-one
CID 159253818
cyclodeca-2,4,6,8,10-pentaene-1,2-diol
CID 143742281
benzene-1,2-diol;hydrogen peroxide
CID 22924348
2-hydroxy-6-phenylcyclohepta-2,4,6-trien-1-one
CID 11019840
3-hydroxy-2-methylcyclohepta-2,4,6-trien-1-one
CID 123525175
ethene;phenol
CID 22228706
6-benzyl-2-hydroxycyclohepta-2,4,6-trien-1-one
CID 122636028
3-hydroxy-2-methoxycyclohepta-2,4,6-trien-1-one
CID 2755139

Frequently Asked Questions

What is the IUPAC name of ethene;2-hydroxycyclohepta-2,4,6-trien-1-one?
The IUPAC name of ethene;2-hydroxycyclohepta-2,4,6-trien-1-one (CID 88801051) is ethene;2-hydroxycyclohepta-2,4,6-trien-1-one.
What is the SMILES notation for ethene;2-hydroxycyclohepta-2,4,6-trien-1-one?
The canonical SMILES for ethene;2-hydroxycyclohepta-2,4,6-trien-1-one is C=C.O=c1cccccc1O.
What is the InChIKey of ethene;2-hydroxycyclohepta-2,4,6-trien-1-one?
The InChIKey is XRTPHYSBNYSMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2.C2H4/c8-6-4-2-1-3-5-7(6)9;1-2/h1-5H,(H,8,9);1-2H2.
What are the key properties of ethene;2-hydroxycyclohepta-2,4,6-trien-1-one?
ethene;2-hydroxycyclohepta-2,4,6-trien-1-one has a molecular weight of 150.18 g/mol, XLogP of 1.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;2-hydroxycyclohepta-2,4,6-trien-1-one is sourced from PubChem (CID 88801051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).