1-(2-methoxyethyl)bicyclo[2.2.1]hept-5-en-2-one

C10H14O2 — CID 19902092

IUPAC1-(2-methoxyethyl)bicyclo[2.2.1]hept-5-en-2-one
SMILESCOCCC12C=CC(CC1=O)C2
InChIInChI=1S/C10H14O2/c1-12-5-4-10-3-2-8(7-10)6-9(10)11/h2-3,8H,4-7H2,1H3
InChIKeyNDWPGLGZRVXZNG-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.56
Rot. Bonds3

About 1-(2-methoxyethyl)bicyclo[2.2.1]hept-5-en-2-one

1-(2-methoxyethyl)bicyclo[2.2.1]hept-5-en-2-one (PubChem CID 19902092) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-(2-methoxyethyl)bicyclo[2.2.1]hept-5-en-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)bicyclo[2.2.1]hept-5-en-2-one
PubChem CID19902092
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name1-(2-methoxyethyl)bicyclo[2.2.1]hept-5-en-2-one
SMILESCOCCC12C=CC(CC1=O)C2
InChIInChI=1S/C10H14O2/c1-12-5-4-10-3-2-8(7-10)6-9(10)11/h2-3,8H,4-7H2,1H3
InChIKeyNDWPGLGZRVXZNG-UHFFFAOYSA-N
XLogP1.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.56
H-Bond Donors ≤ 50
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-methoxyethyl)bicyclo[2.2.1]hept-5-en-2-one?
The IUPAC name of 1-(2-methoxyethyl)bicyclo[2.2.1]hept-5-en-2-one (CID 19902092) is 1-(2-methoxyethyl)bicyclo[2.2.1]hept-5-en-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)bicyclo[2.2.1]hept-5-en-2-one?
The canonical SMILES for 1-(2-methoxyethyl)bicyclo[2.2.1]hept-5-en-2-one is COCCC12C=CC(CC1=O)C2.
What is the InChIKey of 1-(2-methoxyethyl)bicyclo[2.2.1]hept-5-en-2-one?
The InChIKey is NDWPGLGZRVXZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-12-5-4-10-3-2-8(7-10)6-9(10)11/h2-3,8H,4-7H2,1H3.
What are the key properties of 1-(2-methoxyethyl)bicyclo[2.2.1]hept-5-en-2-one?
1-(2-methoxyethyl)bicyclo[2.2.1]hept-5-en-2-one has a molecular weight of 166.22 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)bicyclo[2.2.1]hept-5-en-2-one is sourced from PubChem (CID 19902092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).