4-methoxybicyclo[3.1.0]hex-3-en-2-one

C7H8O2 — CID 15103016

IUPAC4-methoxybicyclo[3.1.0]hex-3-en-2-one
SMILESCOC1=CC(=O)C2CC12
InChIInChI=1S/C7H8O2/c1-9-7-3-6(8)4-2-5(4)7/h3-5H,2H2,1H3
InChIKeyMDPNJMLZGPRSEQ-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.74
Rot. Bonds1

About 4-methoxybicyclo[3.1.0]hex-3-en-2-one

4-methoxybicyclo[3.1.0]hex-3-en-2-one (PubChem CID 15103016) has the molecular formula C7H8O2 and a molecular weight of 124.14 g/mol. Its IUPAC name is 4-methoxybicyclo[3.1.0]hex-3-en-2-one.

Molecular Properties

Compound Name4-methoxybicyclo[3.1.0]hex-3-en-2-one
PubChem CID15103016
Molecular FormulaC7H8O2
Molecular Weight124.14 g/mol
Exact Mass124.05
IUPAC Name4-methoxybicyclo[3.1.0]hex-3-en-2-one
SMILESCOC1=CC(=O)C2CC12
InChIInChI=1S/C7H8O2/c1-9-7-3-6(8)4-2-5(4)7/h3-5H,2H2,1H3
InChIKeyMDPNJMLZGPRSEQ-UHFFFAOYSA-N
XLogP0.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxybicyclo[3.1.0]hex-3-en-2-one?
The IUPAC name of 4-methoxybicyclo[3.1.0]hex-3-en-2-one (CID 15103016) is 4-methoxybicyclo[3.1.0]hex-3-en-2-one.
What is the SMILES notation for 4-methoxybicyclo[3.1.0]hex-3-en-2-one?
The canonical SMILES for 4-methoxybicyclo[3.1.0]hex-3-en-2-one is COC1=CC(=O)C2CC12.
What is the InChIKey of 4-methoxybicyclo[3.1.0]hex-3-en-2-one?
The InChIKey is MDPNJMLZGPRSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2/c1-9-7-3-6(8)4-2-5(4)7/h3-5H,2H2,1H3.
What are the key properties of 4-methoxybicyclo[3.1.0]hex-3-en-2-one?
4-methoxybicyclo[3.1.0]hex-3-en-2-one has a molecular weight of 124.14 g/mol, XLogP of 0.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxybicyclo[3.1.0]hex-3-en-2-one is sourced from PubChem (CID 15103016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).