(3-methoxy-2-bicyclo[2.2.1]hept-5-enylidene)methanone

C9H10O2 — CID 87461596

IUPAC(3-methoxy-2-bicyclo[2.2.1]hept-5-enylidene)methanone
SMILESCOC1C(=C=O)C2C=CC1C2
InChIInChI=1S/C9H10O2/c1-11-9-7-3-2-6(4-7)8(9)5-10/h2-3,6-7,9H,4H2,1H3
InChIKeyHJYIHZXNQAXBBT-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.97
Rot. Bonds1

About (3-methoxy-2-bicyclo[2.2.1]hept-5-enylidene)methanone

(3-methoxy-2-bicyclo[2.2.1]hept-5-enylidene)methanone (PubChem CID 87461596) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is (3-methoxy-2-bicyclo[2.2.1]hept-5-enylidene)methanone.

Molecular Properties

Compound Name(3-methoxy-2-bicyclo[2.2.1]hept-5-enylidene)methanone
PubChem CID87461596
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name(3-methoxy-2-bicyclo[2.2.1]hept-5-enylidene)methanone
SMILESCOC1C(=C=O)C2C=CC1C2
InChIInChI=1S/C9H10O2/c1-11-9-7-3-2-6(4-7)8(9)5-10/h2-3,6-7,9H,4H2,1H3
InChIKeyHJYIHZXNQAXBBT-UHFFFAOYSA-N
XLogP0.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-methoxy-2-bicyclo[2.2.1]hept-5-enylidene)methanone?
The IUPAC name of (3-methoxy-2-bicyclo[2.2.1]hept-5-enylidene)methanone (CID 87461596) is (3-methoxy-2-bicyclo[2.2.1]hept-5-enylidene)methanone.
What is the SMILES notation for (3-methoxy-2-bicyclo[2.2.1]hept-5-enylidene)methanone?
The canonical SMILES for (3-methoxy-2-bicyclo[2.2.1]hept-5-enylidene)methanone is COC1C(=C=O)C2C=CC1C2.
What is the InChIKey of (3-methoxy-2-bicyclo[2.2.1]hept-5-enylidene)methanone?
The InChIKey is HJYIHZXNQAXBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-11-9-7-3-2-6(4-7)8(9)5-10/h2-3,6-7,9H,4H2,1H3.
What are the key properties of (3-methoxy-2-bicyclo[2.2.1]hept-5-enylidene)methanone?
(3-methoxy-2-bicyclo[2.2.1]hept-5-enylidene)methanone has a molecular weight of 150.18 g/mol, XLogP of 0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-2-bicyclo[2.2.1]hept-5-enylidene)methanone is sourced from PubChem (CID 87461596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).