(3aS,8bR)-8b-methyl-3a,4-dihydro-3H-indeno[1,2-b]furan-2-one

C12H12O2 — CID 11240906

IUPAC(3aS,8bR)-8b-methyl-3a,4-dihydro-3H-indeno[1,2-b]furan-2-one
SMILESC[C@@]12OC(=O)C[C@@H]1Cc1ccccc12
InChIInChI=1S/C12H12O2/c1-12-9(7-11(13)14-12)6-8-4-2-3-5-10(8)12/h2-5,9H,6-7H2,1H3/t9-,12+/m0/s1
InChIKeyOELUBFHWYWLKFA-JOYOIKCWSA-N
MW188.23 g/mol
LogP2.02
Rot. Bonds

About (3aS,8bR)-8b-methyl-3a,4-dihydro-3H-indeno[1,2-b]furan-2-one

(3aS,8bR)-8b-methyl-3a,4-dihydro-3H-indeno[1,2-b]furan-2-one (PubChem CID 11240906) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is (3aS,8bR)-8b-methyl-3a,4-dihydro-3H-indeno[1,2-b]furan-2-one.

Molecular Properties

Compound Name(3aS,8bR)-8b-methyl-3a,4-dihydro-3H-indeno[1,2-b]furan-2-one
PubChem CID11240906
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name(3aS,8bR)-8b-methyl-3a,4-dihydro-3H-indeno[1,2-b]furan-2-one
SMILESC[C@@]12OC(=O)C[C@@H]1Cc1ccccc12
InChIInChI=1S/C12H12O2/c1-12-9(7-11(13)14-12)6-8-4-2-3-5-10(8)12/h2-5,9H,6-7H2,1H3/t9-,12+/m0/s1
InChIKeyOELUBFHWYWLKFA-JOYOIKCWSA-N
XLogP2.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3aS,8bR)-8b-methyl-3a,4-dihydro-3H-indeno[1,2-b]furan-2-one with MolForge

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Related Compounds

(3aR,8bS)-8b-hydroxy-2,3,3a,4-tetrahydrocyclopenta[a]inden-1-one
CID 102154676
2-iodo-3,3-dimethyl-1,2-dihydroindene
CID 70493700
pentacyclo[11.7.0.01,9.02,7.015,20]icosa-2,4,6,15,17,19-hexaene
CID 102574244
(15R)-pentacyclo[13.7.0.01,9.02,7.017,22]docosa-2,4,6,17,19,21-hexaene
CID 171404171
(1R,9S)-1-methyltricyclo[7.3.1.02,7]trideca-2,4,6,11-tetraen-13-one
CID 10821813
2-(2-methyl-3,4-dihydrochromen-2-yl)phenol
CID 134834710
1,2-dimethyl-2,3-dihydroindene-1-carboxylic acid
CID 70198956
3,3-dimethyl-2-propan-2-yl-1,2-dihydroindene
CID 22975328
(2R,3aR,6aR)-3a-methyl-3-methylidene-2-phenyl-6,6a-dihydrofuro[3,2-b]furan-5-one
CID 102483534
methyl 4,4-dimethyl-2,3-dihydro-1H-naphthalene-2-carboxylate
CID 11806156
(2S,3aR,6aR)-3a-methyl-3-methylidene-2-phenyl-6,6a-dihydrofuro[3,2-b]furan-5-one
CID 102483533
6a-tert-butyl-3a,4-dihydro-3H-furo[2,3-b]furan-2,5-dione
CID 138967150

Frequently Asked Questions

What is the IUPAC name of (3aS,8bR)-8b-methyl-3a,4-dihydro-3H-indeno[1,2-b]furan-2-one?
The IUPAC name of (3aS,8bR)-8b-methyl-3a,4-dihydro-3H-indeno[1,2-b]furan-2-one (CID 11240906) is (3aS,8bR)-8b-methyl-3a,4-dihydro-3H-indeno[1,2-b]furan-2-one.
What is the SMILES notation for (3aS,8bR)-8b-methyl-3a,4-dihydro-3H-indeno[1,2-b]furan-2-one?
The canonical SMILES for (3aS,8bR)-8b-methyl-3a,4-dihydro-3H-indeno[1,2-b]furan-2-one is C[C@@]12OC(=O)C[C@@H]1Cc1ccccc12.
What is the InChIKey of (3aS,8bR)-8b-methyl-3a,4-dihydro-3H-indeno[1,2-b]furan-2-one?
The InChIKey is OELUBFHWYWLKFA-JOYOIKCWSA-N. The full InChI is InChI=1S/C12H12O2/c1-12-9(7-11(13)14-12)6-8-4-2-3-5-10(8)12/h2-5,9H,6-7H2,1H3/t9-,12+/m0/s1.
What are the key properties of (3aS,8bR)-8b-methyl-3a,4-dihydro-3H-indeno[1,2-b]furan-2-one?
(3aS,8bR)-8b-methyl-3a,4-dihydro-3H-indeno[1,2-b]furan-2-one has a molecular weight of 188.23 g/mol, XLogP of 2.02, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,8bR)-8b-methyl-3a,4-dihydro-3H-indeno[1,2-b]furan-2-one is sourced from PubChem (CID 11240906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).