1-hydroxy-10-propan-2-ylidenetricyclo[5.2.1.02,6]deca-4,8-dien-3-one

C13H14O2 — CID 57088247

IUPAC1-hydroxy-10-propan-2-ylidenetricyclo[5.2.1.02,6]deca-4,8-dien-3-one
SMILESCC(C)=C1C2C=CC1(O)C1C(=O)C=CC21
InChIInChI=1S/C13H14O2/c1-7(2)11-9-5-6-13(11,15)12-8(9)3-4-10(12)14/h3-6,8-9,12,15H,1-2H3
InChIKeyIUZRTZRFGUXKTM-UHFFFAOYSA-N
MW202.25 g/mol
LogP1.62
Rot. Bonds

About 1-hydroxy-10-propan-2-ylidenetricyclo[5.2.1.02,6]deca-4,8-dien-3-one

1-hydroxy-10-propan-2-ylidenetricyclo[5.2.1.02,6]deca-4,8-dien-3-one (PubChem CID 57088247) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 1-hydroxy-10-propan-2-ylidenetricyclo[5.2.1.02,6]deca-4,8-dien-3-one.

Molecular Properties

Compound Name1-hydroxy-10-propan-2-ylidenetricyclo[5.2.1.02,6]deca-4,8-dien-3-one
PubChem CID57088247
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name1-hydroxy-10-propan-2-ylidenetricyclo[5.2.1.02,6]deca-4,8-dien-3-one
SMILESCC(C)=C1C2C=CC1(O)C1C(=O)C=CC21
InChIInChI=1S/C13H14O2/c1-7(2)11-9-5-6-13(11,15)12-8(9)3-4-10(12)14/h3-6,8-9,12,15H,1-2H3
InChIKeyIUZRTZRFGUXKTM-UHFFFAOYSA-N
XLogP1.62
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 51.62
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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CID 279284
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CID 11332791
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CID 11344734
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CID 15350346
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CID 20149035
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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-10-propan-2-ylidenetricyclo[5.2.1.02,6]deca-4,8-dien-3-one?
The IUPAC name of 1-hydroxy-10-propan-2-ylidenetricyclo[5.2.1.02,6]deca-4,8-dien-3-one (CID 57088247) is 1-hydroxy-10-propan-2-ylidenetricyclo[5.2.1.02,6]deca-4,8-dien-3-one.
What is the SMILES notation for 1-hydroxy-10-propan-2-ylidenetricyclo[5.2.1.02,6]deca-4,8-dien-3-one?
The canonical SMILES for 1-hydroxy-10-propan-2-ylidenetricyclo[5.2.1.02,6]deca-4,8-dien-3-one is CC(C)=C1C2C=CC1(O)C1C(=O)C=CC21.
What is the InChIKey of 1-hydroxy-10-propan-2-ylidenetricyclo[5.2.1.02,6]deca-4,8-dien-3-one?
The InChIKey is IUZRTZRFGUXKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c1-7(2)11-9-5-6-13(11,15)12-8(9)3-4-10(12)14/h3-6,8-9,12,15H,1-2H3.
What are the key properties of 1-hydroxy-10-propan-2-ylidenetricyclo[5.2.1.02,6]deca-4,8-dien-3-one?
1-hydroxy-10-propan-2-ylidenetricyclo[5.2.1.02,6]deca-4,8-dien-3-one has a molecular weight of 202.25 g/mol, XLogP of 1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-10-propan-2-ylidenetricyclo[5.2.1.02,6]deca-4,8-dien-3-one is sourced from PubChem (CID 57088247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).