1a,2,3,3a-tetrahydronaphtho[1,2-b]oxirene

C10H10O — CID 87624970

IUPAC1a,2,3,3a-tetrahydronaphtho[1,2-b]oxirene
SMILESC1=CC2=C3OC3CCC2C=C1
InChIInChI=1S/C10H10O/c1-2-4-8-7(3-1)5-6-9-10(8)11-9/h1-4,7,9H,5-6H2
InChIKeyANXYZIONZUSNHC-UHFFFAOYSA-N
MW146.19 g/mol
LogP2.18
Rot. Bonds

About 1a,2,3,3a-tetrahydronaphtho[1,2-b]oxirene

1a,2,3,3a-tetrahydronaphtho[1,2-b]oxirene (PubChem CID 87624970) has the molecular formula C10H10O and a molecular weight of 146.19 g/mol. Its IUPAC name is 1a,2,3,3a-tetrahydronaphtho[1,2-b]oxirene.

Molecular Properties

Compound Name1a,2,3,3a-tetrahydronaphtho[1,2-b]oxirene
PubChem CID87624970
Molecular FormulaC10H10O
Molecular Weight146.19 g/mol
Exact Mass146.07
IUPAC Name1a,2,3,3a-tetrahydronaphtho[1,2-b]oxirene
SMILESC1=CC2=C3OC3CCC2C=C1
InChIInChI=1S/C10H10O/c1-2-4-8-7(3-1)5-6-9-10(8)11-9/h1-4,7,9H,5-6H2
InChIKeyANXYZIONZUSNHC-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1a,2,3,3a-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 1a,2,3,3a-tetrahydronaphtho[1,2-b]oxirene?
The IUPAC name of 1a,2,3,3a-tetrahydronaphtho[1,2-b]oxirene (CID 87624970) is 1a,2,3,3a-tetrahydronaphtho[1,2-b]oxirene.
What is the SMILES notation for 1a,2,3,3a-tetrahydronaphtho[1,2-b]oxirene?
The canonical SMILES for 1a,2,3,3a-tetrahydronaphtho[1,2-b]oxirene is C1=CC2=C3OC3CCC2C=C1.
What is the InChIKey of 1a,2,3,3a-tetrahydronaphtho[1,2-b]oxirene?
The InChIKey is ANXYZIONZUSNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O/c1-2-4-8-7(3-1)5-6-9-10(8)11-9/h1-4,7,9H,5-6H2.
What are the key properties of 1a,2,3,3a-tetrahydronaphtho[1,2-b]oxirene?
1a,2,3,3a-tetrahydronaphtho[1,2-b]oxirene has a molecular weight of 146.19 g/mol, XLogP of 2.18, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1a,2,3,3a-tetrahydronaphtho[1,2-b]oxirene is sourced from PubChem (CID 87624970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).