8-cyclopropyl-3,3a,4,8b-tetrahydro-1H-cyclopenta[a]inden-2-one

C15H16O — CID 158678889

IUPAC8-cyclopropyl-3,3a,4,8b-tetrahydro-1H-cyclopenta[a]inden-2-one
SMILESO=C1CC2Cc3cccc(C4CC4)c3C2C1
InChIInChI=1S/C15H16O/c16-12-7-11-6-10-2-1-3-13(9-4-5-9)15(10)14(11)8-12/h1-3,9,11,14H,4-8H2
InChIKeyBHWARIAPLIJUDW-UHFFFAOYSA-N
MW212.29 g/mol
LogP3.18
Rot. Bonds1

About 8-cyclopropyl-3,3a,4,8b-tetrahydro-1H-cyclopenta[a]inden-2-one

8-cyclopropyl-3,3a,4,8b-tetrahydro-1H-cyclopenta[a]inden-2-one (PubChem CID 158678889) has the molecular formula C15H16O and a molecular weight of 212.29 g/mol. Its IUPAC name is 8-cyclopropyl-3,3a,4,8b-tetrahydro-1H-cyclopenta[a]inden-2-one.

Molecular Properties

Compound Name8-cyclopropyl-3,3a,4,8b-tetrahydro-1H-cyclopenta[a]inden-2-one
PubChem CID158678889
Molecular FormulaC15H16O
Molecular Weight212.29 g/mol
Exact Mass212.12
IUPAC Name8-cyclopropyl-3,3a,4,8b-tetrahydro-1H-cyclopenta[a]inden-2-one
SMILESO=C1CC2Cc3cccc(C4CC4)c3C2C1
InChIInChI=1S/C15H16O/c16-12-7-11-6-10-2-1-3-13(9-4-5-9)15(10)14(11)8-12/h1-3,9,11,14H,4-8H2
InChIKeyBHWARIAPLIJUDW-UHFFFAOYSA-N
XLogP3.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 19347400
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CID 59346077
(3aR,9bS)-3,3a,4,9b-tetrahydro-1H-cyclopenta[c]chromen-2-one
CID 169308199
(4aS,10aS)-3,4,4a,9,10,10a-hexahydro-1H-phenanthren-2-one
CID 141032918
3-fluorotricyclo[6.3.3.02,7]tetradeca-2(7),3,5-triene-10,13-dione
CID 146286808
tricyclo[6.2.2.02,7]dodeca-2,4,6-triene
CID 582301
3,3a,4,8b-tetrahydro-1H-cyclopenta[a]inden-2-one;tert-butyl 2-oxo-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrole-1-carboxylate
CID 159996731
tricyclo[8.2.1.03,8]trideca-3,5,7-trien-13-one
CID 5260406
2,6-dicyclopropylaniline
CID 129249080
2,3,4,4a,9,9a-hexahydro-1H-fluorene
CID 519137
bicyclo[3.2.0]heptan-3-one
CID 12550422
1-[2-(chloromethyl)-3-cyclopropylphenyl]-4-methyltetrazol-5-one
CID 126615595

Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-3,3a,4,8b-tetrahydro-1H-cyclopenta[a]inden-2-one?
The IUPAC name of 8-cyclopropyl-3,3a,4,8b-tetrahydro-1H-cyclopenta[a]inden-2-one (CID 158678889) is 8-cyclopropyl-3,3a,4,8b-tetrahydro-1H-cyclopenta[a]inden-2-one.
What is the SMILES notation for 8-cyclopropyl-3,3a,4,8b-tetrahydro-1H-cyclopenta[a]inden-2-one?
The canonical SMILES for 8-cyclopropyl-3,3a,4,8b-tetrahydro-1H-cyclopenta[a]inden-2-one is O=C1CC2Cc3cccc(C4CC4)c3C2C1.
What is the InChIKey of 8-cyclopropyl-3,3a,4,8b-tetrahydro-1H-cyclopenta[a]inden-2-one?
The InChIKey is BHWARIAPLIJUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O/c16-12-7-11-6-10-2-1-3-13(9-4-5-9)15(10)14(11)8-12/h1-3,9,11,14H,4-8H2.
What are the key properties of 8-cyclopropyl-3,3a,4,8b-tetrahydro-1H-cyclopenta[a]inden-2-one?
8-cyclopropyl-3,3a,4,8b-tetrahydro-1H-cyclopenta[a]inden-2-one has a molecular weight of 212.29 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-3,3a,4,8b-tetrahydro-1H-cyclopenta[a]inden-2-one is sourced from PubChem (CID 158678889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).