(1aR,6aR)-2-methyl-6,6a-dihydro-1aH-indeno[1,2-b]oxirene

C10H10O — CID 99642443

IUPAC(1aR,6aR)-2-methyl-6,6a-dihydro-1aH-indeno[1,2-b]oxirene
SMILESCc1cccc2c1[C@H]1O[C@@H]1C2
InChIInChI=1S/C10H10O/c1-6-3-2-4-7-5-8-10(11-8)9(6)7/h2-4,8,10H,5H2,1H3/t8-,10+/m1/s1
InChIKeyLYFVWFUZJCAEIO-SCZZXKLOSA-N
MW146.19 g/mol
LogP1.99
Rot. Bonds

About (1aR,6aR)-2-methyl-6,6a-dihydro-1aH-indeno[1,2-b]oxirene

(1aR,6aR)-2-methyl-6,6a-dihydro-1aH-indeno[1,2-b]oxirene (PubChem CID 99642443) has the molecular formula C10H10O and a molecular weight of 146.19 g/mol. Its IUPAC name is (1aR,6aR)-2-methyl-6,6a-dihydro-1aH-indeno[1,2-b]oxirene.

Molecular Properties

Compound Name(1aR,6aR)-2-methyl-6,6a-dihydro-1aH-indeno[1,2-b]oxirene
PubChem CID99642443
Molecular FormulaC10H10O
Molecular Weight146.19 g/mol
Exact Mass146.07
IUPAC Name(1aR,6aR)-2-methyl-6,6a-dihydro-1aH-indeno[1,2-b]oxirene
SMILESCc1cccc2c1[C@H]1O[C@@H]1C2
InChIInChI=1S/C10H10O/c1-6-3-2-4-7-5-8-10(11-8)9(6)7/h2-4,8,10H,5H2,1H3/t8-,10+/m1/s1
InChIKeyLYFVWFUZJCAEIO-SCZZXKLOSA-N
XLogP1.99
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 ≤ 51.99
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

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5-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carbaldehyde
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(1R,9S,10S)-10-methyl-11,12-dioxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-3-ol
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CID 14389533
5-(2,6-dimethylphenyl)cyclohexane-1,3-dione
CID 52939086
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CID 134811657
11-oxatetracyclo[7.4.1.05,14.010,12]tetradeca-1,3,5(14),6,8-pentaene;pyrene
CID 87844442
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CID 134223105
(4S)-N,5-dimethyl-3,4-dihydro-1H-isochromen-4-amine
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(7-methyl-2,3-dihydro-1-benzofuran-2-yl)methanamine;hydrochloride
CID 138399168
N-methyl-1-[(1S)-8-methyl-3,4-dihydro-1H-isochromen-1-yl]methanamine
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Frequently Asked Questions

What is the IUPAC name of (1aR,6aR)-2-methyl-6,6a-dihydro-1aH-indeno[1,2-b]oxirene?
The IUPAC name of (1aR,6aR)-2-methyl-6,6a-dihydro-1aH-indeno[1,2-b]oxirene (CID 99642443) is (1aR,6aR)-2-methyl-6,6a-dihydro-1aH-indeno[1,2-b]oxirene.
What is the SMILES notation for (1aR,6aR)-2-methyl-6,6a-dihydro-1aH-indeno[1,2-b]oxirene?
The canonical SMILES for (1aR,6aR)-2-methyl-6,6a-dihydro-1aH-indeno[1,2-b]oxirene is Cc1cccc2c1[C@H]1O[C@@H]1C2.
What is the InChIKey of (1aR,6aR)-2-methyl-6,6a-dihydro-1aH-indeno[1,2-b]oxirene?
The InChIKey is LYFVWFUZJCAEIO-SCZZXKLOSA-N. The full InChI is InChI=1S/C10H10O/c1-6-3-2-4-7-5-8-10(11-8)9(6)7/h2-4,8,10H,5H2,1H3/t8-,10+/m1/s1.
What are the key properties of (1aR,6aR)-2-methyl-6,6a-dihydro-1aH-indeno[1,2-b]oxirene?
(1aR,6aR)-2-methyl-6,6a-dihydro-1aH-indeno[1,2-b]oxirene has a molecular weight of 146.19 g/mol, XLogP of 1.99, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1aR,6aR)-2-methyl-6,6a-dihydro-1aH-indeno[1,2-b]oxirene is sourced from PubChem (CID 99642443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).