6a-methyl-1a,6-dihydroindeno[1,2-b]oxirene

C10H10O — CID 12522307

IUPAC6a-methyl-1a,6-dihydroindeno[1,2-b]oxirene
SMILESCC12Cc3ccccc3C1O2
InChIInChI=1S/C10H10O/c1-10-6-7-4-2-3-5-8(7)9(10)11-10/h2-5,9H,6H2,1H3
InChIKeyNERZWZQNSRXDMH-UHFFFAOYSA-N
MW146.19 g/mol
LogP2.07
Rot. Bonds

About 6a-methyl-1a,6-dihydroindeno[1,2-b]oxirene

6a-methyl-1a,6-dihydroindeno[1,2-b]oxirene (PubChem CID 12522307) has the molecular formula C10H10O and a molecular weight of 146.19 g/mol. Its IUPAC name is 6a-methyl-1a,6-dihydroindeno[1,2-b]oxirene.

Molecular Properties

Compound Name6a-methyl-1a,6-dihydroindeno[1,2-b]oxirene
PubChem CID12522307
Molecular FormulaC10H10O
Molecular Weight146.19 g/mol
Exact Mass146.07
IUPAC Name6a-methyl-1a,6-dihydroindeno[1,2-b]oxirene
SMILESCC12Cc3ccccc3C1O2
InChIInChI=1S/C10H10O/c1-10-6-7-4-2-3-5-8(7)9(10)11-10/h2-5,9H,6H2,1H3
InChIKeyNERZWZQNSRXDMH-UHFFFAOYSA-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'}

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Related Compounds

(1aS,7bR)-2,2-dimethyl-3,7b-dihydro-1aH-naphtho[1,2-b]oxirene
CID 11062908
1-bromo-2-methyl-1,3-dihydroinden-2-ol
CID 174888924
3-methyl-3-phenyl-1,4-dihydroisochromen-1-ol
CID 10728752
3,6a-dimethyl-4,6-dihydro-1aH-indeno[1,2-b]oxiren-4-ide;yttrium
CID 59758697
(1R,2R)-1,2-dichloro-2-methyl-1,3-dihydroindene
CID 146168714
2,2-dimethyl-1,3-dihydroinden-1-amine
CID 22175144
N,3,3-trimethyl-2,4-dihydro-1H-naphthalen-1-amine
CID 84618813
2,2-dimethyl-1,3-dihydroinden-1-ol;ethane
CID 162431044
2-(dimethoxymethyl)-2-methyl-3,7b-dihydro-1aH-naphtho[1,2-b]oxirene
CID 58601338
spiro[1,3-dihydroindene-2,1'-cyclopropane]-1-ol
CID 13300016
(1aR,2R,7aS)-4,7a-dimethyl-2,7-dihydro-1aH-naphtho[2,3-b]oxiren-2-ol
CID 130925447
N-(2,2-dimethyl-1,3-dihydroinden-1-yl)oxetan-3-amine
CID 82815198

Frequently Asked Questions

What is the IUPAC name of 6a-methyl-1a,6-dihydroindeno[1,2-b]oxirene?
The IUPAC name of 6a-methyl-1a,6-dihydroindeno[1,2-b]oxirene (CID 12522307) is 6a-methyl-1a,6-dihydroindeno[1,2-b]oxirene.
What is the SMILES notation for 6a-methyl-1a,6-dihydroindeno[1,2-b]oxirene?
The canonical SMILES for 6a-methyl-1a,6-dihydroindeno[1,2-b]oxirene is CC12Cc3ccccc3C1O2.
What is the InChIKey of 6a-methyl-1a,6-dihydroindeno[1,2-b]oxirene?
The InChIKey is NERZWZQNSRXDMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O/c1-10-6-7-4-2-3-5-8(7)9(10)11-10/h2-5,9H,6H2,1H3.
What are the key properties of 6a-methyl-1a,6-dihydroindeno[1,2-b]oxirene?
6a-methyl-1a,6-dihydroindeno[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 6a-methyl-1a,6-dihydroindeno[1,2-b]oxirene is sourced from PubChem (CID 12522307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).