(7R)-7-methylbicyclo[3.2.0]hept-2-en-6-one

C8H10O — CID 142417985

IUPAC(7R)-7-methylbicyclo[3.2.0]hept-2-en-6-one
SMILESC[C@H]1C(=O)C2CC=CC21
InChIInChI=1S/C8H10O/c1-5-6-3-2-4-7(6)8(5)9/h2-3,5-7H,4H2,1H3/t5-,6?,7?/m1/s1
InChIKeyLVQQHTLYHQNUBZ-GRQBKTHUSA-N
MW122.17 g/mol
LogP1.40
Rot. Bonds

About (7R)-7-methylbicyclo[3.2.0]hept-2-en-6-one

(7R)-7-methylbicyclo[3.2.0]hept-2-en-6-one (PubChem CID 142417985) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is (7R)-7-methylbicyclo[3.2.0]hept-2-en-6-one.

Molecular Properties

Compound Name(7R)-7-methylbicyclo[3.2.0]hept-2-en-6-one
PubChem CID142417985
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Name(7R)-7-methylbicyclo[3.2.0]hept-2-en-6-one
SMILESC[C@H]1C(=O)C2CC=CC21
InChIInChI=1S/C8H10O/c1-5-6-3-2-4-7(6)8(5)9/h2-3,5-7H,4H2,1H3/t5-,6?,7?/m1/s1
InChIKeyLVQQHTLYHQNUBZ-GRQBKTHUSA-N
XLogP1.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 (7R)-7-methylbicyclo[3.2.0]hept-2-en-6-one?
The IUPAC name of (7R)-7-methylbicyclo[3.2.0]hept-2-en-6-one (CID 142417985) is (7R)-7-methylbicyclo[3.2.0]hept-2-en-6-one.
What is the SMILES notation for (7R)-7-methylbicyclo[3.2.0]hept-2-en-6-one?
The canonical SMILES for (7R)-7-methylbicyclo[3.2.0]hept-2-en-6-one is C[C@H]1C(=O)C2CC=CC21.
What is the InChIKey of (7R)-7-methylbicyclo[3.2.0]hept-2-en-6-one?
The InChIKey is LVQQHTLYHQNUBZ-GRQBKTHUSA-N. The full InChI is InChI=1S/C8H10O/c1-5-6-3-2-4-7(6)8(5)9/h2-3,5-7H,4H2,1H3/t5-,6?,7?/m1/s1.
What are the key properties of (7R)-7-methylbicyclo[3.2.0]hept-2-en-6-one?
(7R)-7-methylbicyclo[3.2.0]hept-2-en-6-one has a molecular weight of 122.17 g/mol, XLogP of 1.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-methylbicyclo[3.2.0]hept-2-en-6-one is sourced from PubChem (CID 142417985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).