1-hydroxy-3-prop-1-en-2-ylbicyclo[3.3.1]non-2-en-9-one

C12H16O2 — CID 102373500

IUPAC1-hydroxy-3-prop-1-en-2-ylbicyclo[3.3.1]non-2-en-9-one
SMILESC=C(C)C1=CC2(O)CCCC(C1)C2=O
InChIInChI=1S/C12H16O2/c1-8(2)10-6-9-4-3-5-12(14,7-10)11(9)13/h7,9,14H,1,3-6H2,2H3
InChIKeyOFSIAFAFWLCXBA-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.99
Rot. Bonds1

About 1-hydroxy-3-prop-1-en-2-ylbicyclo[3.3.1]non-2-en-9-one

1-hydroxy-3-prop-1-en-2-ylbicyclo[3.3.1]non-2-en-9-one (PubChem CID 102373500) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-hydroxy-3-prop-1-en-2-ylbicyclo[3.3.1]non-2-en-9-one.

Molecular Properties

Compound Name1-hydroxy-3-prop-1-en-2-ylbicyclo[3.3.1]non-2-en-9-one
PubChem CID102373500
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name1-hydroxy-3-prop-1-en-2-ylbicyclo[3.3.1]non-2-en-9-one
SMILESC=C(C)C1=CC2(O)CCCC(C1)C2=O
InChIInChI=1S/C12H16O2/c1-8(2)10-6-9-4-3-5-12(14,7-10)11(9)13/h7,9,14H,1,3-6H2,2H3
InChIKeyOFSIAFAFWLCXBA-UHFFFAOYSA-N
XLogP1.99
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-prop-1-en-2-ylbicyclo[3.3.1]non-2-en-9-one?
The IUPAC name of 1-hydroxy-3-prop-1-en-2-ylbicyclo[3.3.1]non-2-en-9-one (CID 102373500) is 1-hydroxy-3-prop-1-en-2-ylbicyclo[3.3.1]non-2-en-9-one.
What is the SMILES notation for 1-hydroxy-3-prop-1-en-2-ylbicyclo[3.3.1]non-2-en-9-one?
The canonical SMILES for 1-hydroxy-3-prop-1-en-2-ylbicyclo[3.3.1]non-2-en-9-one is C=C(C)C1=CC2(O)CCCC(C1)C2=O.
What is the InChIKey of 1-hydroxy-3-prop-1-en-2-ylbicyclo[3.3.1]non-2-en-9-one?
The InChIKey is OFSIAFAFWLCXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-8(2)10-6-9-4-3-5-12(14,7-10)11(9)13/h7,9,14H,1,3-6H2,2H3.
What are the key properties of 1-hydroxy-3-prop-1-en-2-ylbicyclo[3.3.1]non-2-en-9-one?
1-hydroxy-3-prop-1-en-2-ylbicyclo[3.3.1]non-2-en-9-one has a molecular weight of 192.26 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-prop-1-en-2-ylbicyclo[3.3.1]non-2-en-9-one is sourced from PubChem (CID 102373500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).