2,3,3a,4,5,7b-hexahydro-1aH-naphtho[1,2-b]oxiren-6-one

C10H12O2 — CID 130031758

IUPAC2,3,3a,4,5,7b-hexahydro-1aH-naphtho[1,2-b]oxiren-6-one
SMILESO=C1C=C2C(CC1)CCC1OC21
InChIInChI=1S/C10H12O2/c11-7-3-1-6-2-4-9-10(12-9)8(6)5-7/h5-6,9-10H,1-4H2
InChIKeyKWDJCLBTRFYZFA-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.45
Rot. Bonds

About 2,3,3a,4,5,7b-hexahydro-1aH-naphtho[1,2-b]oxiren-6-one

2,3,3a,4,5,7b-hexahydro-1aH-naphtho[1,2-b]oxiren-6-one (PubChem CID 130031758) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 2,3,3a,4,5,7b-hexahydro-1aH-naphtho[1,2-b]oxiren-6-one.

Molecular Properties

Compound Name2,3,3a,4,5,7b-hexahydro-1aH-naphtho[1,2-b]oxiren-6-one
PubChem CID130031758
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name2,3,3a,4,5,7b-hexahydro-1aH-naphtho[1,2-b]oxiren-6-one
SMILESO=C1C=C2C(CC1)CCC1OC21
InChIInChI=1S/C10H12O2/c11-7-3-1-6-2-4-9-10(12-9)8(6)5-7/h5-6,9-10H,1-4H2
InChIKeyKWDJCLBTRFYZFA-UHFFFAOYSA-N
XLogP1.45
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,3,3a,4,5,7b-hexahydro-1aH-naphtho[1,2-b]oxiren-6-one with MolForge

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Launch Full Analysis

Related Compounds

3-(2-Prop-1-en-2-yl-1-oxaspiro[2.5]octan-5-yl)cyclohex-2-en-1-one
CID 134853655
9-Isopropyl-6-methyl-9,10-epoxybicyclo[4.4.0]dec-1-en-3-one
CID 613203
(1aR,3R,3aS,7bS)-7b-methyl-3-prop-1-en-2-yl-1a,2,3,3a,4,5-hexahydronaphtho[1,2-b]oxiren-6-one
CID 10036333
8-methoxy-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-one
CID 12958081
[(1R,4aR)-7-oxo-2,3,4,4a,5,6-hexahydro-1H-naphthalen-1-yl] acetate
CID 15895157
[(1S,4aR)-7-oxo-2,3,4,4a,5,6-hexahydro-1H-naphthalen-1-yl] acetate
CID 15895158
(1aS,3aS,7bR)-2,3,3a,4,5,7b-hexahydro-1aH-naphtho[1,2-b]oxiren-6-one
CID 25104874
(1aR,3aS,7bS)-1a,3,3a,4,5,7b-Hexahydronaphth[1,2-b]oxiren-6(2H)-one
CID 130804975
(1aR,3aR,7bS)-2,3,3a,4,5,7b-hexahydro-1aH-naphtho[1,2-b]oxiren-6-one
CID 131107900

Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4,5,7b-hexahydro-1aH-naphtho[1,2-b]oxiren-6-one?
The IUPAC name of 2,3,3a,4,5,7b-hexahydro-1aH-naphtho[1,2-b]oxiren-6-one (CID 130031758) is 2,3,3a,4,5,7b-hexahydro-1aH-naphtho[1,2-b]oxiren-6-one.
What is the SMILES notation for 2,3,3a,4,5,7b-hexahydro-1aH-naphtho[1,2-b]oxiren-6-one?
The canonical SMILES for 2,3,3a,4,5,7b-hexahydro-1aH-naphtho[1,2-b]oxiren-6-one is O=C1C=C2C(CC1)CCC1OC21.
What is the InChIKey of 2,3,3a,4,5,7b-hexahydro-1aH-naphtho[1,2-b]oxiren-6-one?
The InChIKey is KWDJCLBTRFYZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c11-7-3-1-6-2-4-9-10(12-9)8(6)5-7/h5-6,9-10H,1-4H2.
What are the key properties of 2,3,3a,4,5,7b-hexahydro-1aH-naphtho[1,2-b]oxiren-6-one?
2,3,3a,4,5,7b-hexahydro-1aH-naphtho[1,2-b]oxiren-6-one has a molecular weight of 164.20 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4,5,7b-hexahydro-1aH-naphtho[1,2-b]oxiren-6-one is sourced from PubChem (CID 130031758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).