(1aS,7bR)-1a,2,3,7b-tetrahydronaphtho[1,2-b]oxirene

C10H10O — CID 11105503

IUPAC(1aS,7bR)-1a,2,3,7b-tetrahydronaphtho[1,2-b]oxirene
SMILESc1ccc2c(c1)CC[C@@H]1O[C@H]21
InChIInChI=1S/C10H10O/c1-2-4-8-7(3-1)5-6-9-10(8)11-9/h1-4,9-10H,5-6H2/t9-,10+/m0/s1
InChIKeyZWBOIOUXXAJRAU-VHSXEESVSA-N
MW146.19 g/mol
LogP2.07
Rot. Bonds

About (1aS,7bR)-1a,2,3,7b-tetrahydronaphtho[1,2-b]oxirene

(1aS,7bR)-1a,2,3,7b-tetrahydronaphtho[1,2-b]oxirene (PubChem CID 11105503) has the molecular formula C10H10O and a molecular weight of 146.19 g/mol. Its IUPAC name is (1aS,7bR)-1a,2,3,7b-tetrahydronaphtho[1,2-b]oxirene.

Molecular Properties

Compound Name(1aS,7bR)-1a,2,3,7b-tetrahydronaphtho[1,2-b]oxirene
PubChem CID11105503
Molecular FormulaC10H10O
Molecular Weight146.19 g/mol
Exact Mass146.07
IUPAC Name(1aS,7bR)-1a,2,3,7b-tetrahydronaphtho[1,2-b]oxirene
SMILESc1ccc2c(c1)CC[C@@H]1O[C@H]21
InChIInChI=1S/C10H10O/c1-2-4-8-7(3-1)5-6-9-10(8)11-9/h1-4,9-10H,5-6H2/t9-,10+/m0/s1
InChIKeyZWBOIOUXXAJRAU-VHSXEESVSA-N
XLogP2.07
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze (1aS,7bR)-1a,2,3,7b-tetrahydronaphtho[1,2-b]oxirene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1aS,7bR)-1a,2,3,7b-tetrahydronaphtho[1,2-b]oxirene?
The IUPAC name of (1aS,7bR)-1a,2,3,7b-tetrahydronaphtho[1,2-b]oxirene (CID 11105503) is (1aS,7bR)-1a,2,3,7b-tetrahydronaphtho[1,2-b]oxirene.
What is the SMILES notation for (1aS,7bR)-1a,2,3,7b-tetrahydronaphtho[1,2-b]oxirene?
The canonical SMILES for (1aS,7bR)-1a,2,3,7b-tetrahydronaphtho[1,2-b]oxirene is c1ccc2c(c1)CC[C@@H]1O[C@H]21.
What is the InChIKey of (1aS,7bR)-1a,2,3,7b-tetrahydronaphtho[1,2-b]oxirene?
The InChIKey is ZWBOIOUXXAJRAU-VHSXEESVSA-N. The full InChI is InChI=1S/C10H10O/c1-2-4-8-7(3-1)5-6-9-10(8)11-9/h1-4,9-10H,5-6H2/t9-,10+/m0/s1.
What are the key properties of (1aS,7bR)-1a,2,3,7b-tetrahydronaphtho[1,2-b]oxirene?
(1aS,7bR)-1a,2,3,7b-tetrahydronaphtho[1,2-b]oxirene has a molecular weight of 146.19 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1aS,7bR)-1a,2,3,7b-tetrahydronaphtho[1,2-b]oxirene is sourced from PubChem (CID 11105503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).