2-ethenyl-2-hydroxycycloheptan-1-one

C9H14O2 — CID 130027172

IUPAC2-ethenyl-2-hydroxycycloheptan-1-one
SMILESC=CC1(O)CCCCCC1=O
InChIInChI=1S/C9H14O2/c1-2-9(11)7-5-3-4-6-8(9)10/h2,11H,1,3-7H2
InChIKeyBSXOULFJFCMLFG-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.44
Rot. Bonds1

About 2-ethenyl-2-hydroxycycloheptan-1-one

2-ethenyl-2-hydroxycycloheptan-1-one (PubChem CID 130027172) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-ethenyl-2-hydroxycycloheptan-1-one.

Molecular Properties

Compound Name2-ethenyl-2-hydroxycycloheptan-1-one
PubChem CID130027172
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name2-ethenyl-2-hydroxycycloheptan-1-one
SMILESC=CC1(O)CCCCCC1=O
InChIInChI=1S/C9H14O2/c1-2-9(11)7-5-3-4-6-8(9)10/h2,11H,1,3-7H2
InChIKeyBSXOULFJFCMLFG-UHFFFAOYSA-N
XLogP1.44
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.44
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

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spiro[5.6]dodecane-5,12-dione
CID 534624
spiro[13.14]octacosan-28-one
CID 12738452
2-(hydroxymethyl)-2-methylcycloheptan-1-one
CID 11240623
2-ethenyl-3-hydroxyspiro[3.5]nonan-9-one
CID 101268637
2-methylidene-1-prop-2-enylcycloheptan-1-ol
CID 580411
1-ethenyl-2-oxocyclopentane-1-carboxamide
CID 70395621
trans-(2R,6S)-2-ethenyl-2-hydroxy-6-prop-2-enylcyclohexan-1-one
CID 102373492
2-(4-chlorophenyl)sulfanyl-2-ethenylcyclotridecan-1-one
CID 101090660
1-methyl-2-oxocycloheptane-1-carboxylic acid
CID 19704452
2-chloro-2-fluorocycloheptan-1-one
CID 132839395

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-2-hydroxycycloheptan-1-one?
The IUPAC name of 2-ethenyl-2-hydroxycycloheptan-1-one (CID 130027172) is 2-ethenyl-2-hydroxycycloheptan-1-one.
What is the SMILES notation for 2-ethenyl-2-hydroxycycloheptan-1-one?
The canonical SMILES for 2-ethenyl-2-hydroxycycloheptan-1-one is C=CC1(O)CCCCCC1=O.
What is the InChIKey of 2-ethenyl-2-hydroxycycloheptan-1-one?
The InChIKey is BSXOULFJFCMLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2/c1-2-9(11)7-5-3-4-6-8(9)10/h2,11H,1,3-7H2.
What are the key properties of 2-ethenyl-2-hydroxycycloheptan-1-one?
2-ethenyl-2-hydroxycycloheptan-1-one has a molecular weight of 154.21 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-2-hydroxycycloheptan-1-one is sourced from PubChem (CID 130027172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).