1-[2-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanone

C10H14O2 — CID 12893798

IUPAC1-[2-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanone
SMILESCC(=O)C1(CO)CC2C=CC1C2
InChIInChI=1S/C10H14O2/c1-7(12)10(6-11)5-8-2-3-9(10)4-8/h2-3,8-9,11H,4-6H2,1H3
InChIKeySCVHSGMZAPHRIW-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.15
Rot. Bonds2

About 1-[2-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanone

1-[2-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanone (PubChem CID 12893798) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanone.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanone
PubChem CID12893798
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name1-[2-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanone
SMILESCC(=O)C1(CO)CC2C=CC1C2
InChIInChI=1S/C10H14O2/c1-7(12)10(6-11)5-8-2-3-9(10)4-8/h2-3,8-9,11H,4-6H2,1H3
InChIKeySCVHSGMZAPHRIW-UHFFFAOYSA-N
XLogP1.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanone?
The IUPAC name of 1-[2-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanone (CID 12893798) is 1-[2-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanone.
What is the SMILES notation for 1-[2-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanone?
The canonical SMILES for 1-[2-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanone is CC(=O)C1(CO)CC2C=CC1C2.
What is the InChIKey of 1-[2-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanone?
The InChIKey is SCVHSGMZAPHRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-7(12)10(6-11)5-8-2-3-9(10)4-8/h2-3,8-9,11H,4-6H2,1H3.
What are the key properties of 1-[2-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanone?
1-[2-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanone has a molecular weight of 166.22 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanone is sourced from PubChem (CID 12893798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).