(3aS,8bR)-2,3,3a,8b-tetrahydro-1H-cyclopenta[a]inden-4-one

C12H12O — CID 102345002

IUPAC(3aS,8bR)-2,3,3a,8b-tetrahydro-1H-cyclopenta[a]inden-4-one
SMILESO=C1c2ccccc2[C@@H]2CCC[C@H]12
InChIInChI=1S/C12H12O/c13-12-10-5-2-1-4-8(10)9-6-3-7-11(9)12/h1-2,4-5,9,11H,3,6-7H2/t9-,11-/m0/s1
InChIKeyFXTMTYSWYBRYPJ-ONGXEEELSA-N
MW172.23 g/mol
LogP2.77
Rot. Bonds

About (3aS,8bR)-2,3,3a,8b-tetrahydro-1H-cyclopenta[a]inden-4-one

(3aS,8bR)-2,3,3a,8b-tetrahydro-1H-cyclopenta[a]inden-4-one (PubChem CID 102345002) has the molecular formula C12H12O and a molecular weight of 172.23 g/mol. Its IUPAC name is (3aS,8bR)-2,3,3a,8b-tetrahydro-1H-cyclopenta[a]inden-4-one.

Molecular Properties

Compound Name(3aS,8bR)-2,3,3a,8b-tetrahydro-1H-cyclopenta[a]inden-4-one
PubChem CID102345002
Molecular FormulaC12H12O
Molecular Weight172.23 g/mol
Exact Mass172.09
IUPAC Name(3aS,8bR)-2,3,3a,8b-tetrahydro-1H-cyclopenta[a]inden-4-one
SMILESO=C1c2ccccc2[C@@H]2CCC[C@H]12
InChIInChI=1S/C12H12O/c13-12-10-5-2-1-4-8(10)9-6-3-7-11(9)12/h1-2,4-5,9,11H,3,6-7H2/t9-,11-/m0/s1
InChIKeyFXTMTYSWYBRYPJ-ONGXEEELSA-N
XLogP2.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,3,4,4a,9a-hexahydrofluoren-9-one
CID 604181
(3aR,9S,9aS)-9-methyl-1,2,3,3a,9,9a-hexahydrocyclopenta[b]naphthalen-4-one
CID 10679542
1,3,3a,8b-tetrahydroindeno[1,2-b]pyrrole-2,4-dione
CID 132988443
4b,5,10b,11-tetrahydrochrysene-6,12-dione
CID 11265495
2,3,4,4a,9a,10-hexahydro-1H-acridin-9-one
CID 659071
(4aS,9aR)-7-(dimethylamino)-1,2,3,4,4a,9a-hexahydrofluoren-9-one
CID 11770250
(3R,8S)-tricyclo[9.4.0.03,8]pentadeca-1(15),11,13-trien-2-one
CID 169445455
(5S)-tricyclo[4.4.0.02,5]deca-1(10),6,8-triene
CID 68882978
tert-butyl (4bS,8aR)-10-oxo-5,6,7,8,8a,9-hexahydro-4bH-phenanthrene-9-carboxylate
CID 135036034
CID 100969181
CID 100969181
(4aS,9aR)-1,2,3,4,4a,9a-hexahydroxanthen-9-one
CID 10726796
(1S,2S,4S,5S)-2,4-bis(2-hydroxyphenyl)-3-azoniabicyclo[3.3.1]nonan-9-one
CID 23350779

Frequently Asked Questions

What is the IUPAC name of (3aS,8bR)-2,3,3a,8b-tetrahydro-1H-cyclopenta[a]inden-4-one?
The IUPAC name of (3aS,8bR)-2,3,3a,8b-tetrahydro-1H-cyclopenta[a]inden-4-one (CID 102345002) is (3aS,8bR)-2,3,3a,8b-tetrahydro-1H-cyclopenta[a]inden-4-one.
What is the SMILES notation for (3aS,8bR)-2,3,3a,8b-tetrahydro-1H-cyclopenta[a]inden-4-one?
The canonical SMILES for (3aS,8bR)-2,3,3a,8b-tetrahydro-1H-cyclopenta[a]inden-4-one is O=C1c2ccccc2[C@@H]2CCC[C@H]12.
What is the InChIKey of (3aS,8bR)-2,3,3a,8b-tetrahydro-1H-cyclopenta[a]inden-4-one?
The InChIKey is FXTMTYSWYBRYPJ-ONGXEEELSA-N. The full InChI is InChI=1S/C12H12O/c13-12-10-5-2-1-4-8(10)9-6-3-7-11(9)12/h1-2,4-5,9,11H,3,6-7H2/t9-,11-/m0/s1.
What are the key properties of (3aS,8bR)-2,3,3a,8b-tetrahydro-1H-cyclopenta[a]inden-4-one?
(3aS,8bR)-2,3,3a,8b-tetrahydro-1H-cyclopenta[a]inden-4-one has a molecular weight of 172.23 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,8bR)-2,3,3a,8b-tetrahydro-1H-cyclopenta[a]inden-4-one is sourced from PubChem (CID 102345002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).