(3aR,8bS)-8b-hydroxy-2,3,3a,4-tetrahydrocyclopenta[a]inden-1-one

C12H12O2 — CID 102154676

IUPAC(3aR,8bS)-8b-hydroxy-2,3,3a,4-tetrahydrocyclopenta[a]inden-1-one
SMILESO=C1CC[C@@H]2Cc3ccccc3[C@]12O
InChIInChI=1S/C12H12O2/c13-11-6-5-9-7-8-3-1-2-4-10(8)12(9,11)14/h1-4,9,14H,5-7H2/t9-,12+/m1/s1
InChIKeyNNRLVRDUJCMCJA-SKDRFNHKSA-N
MW188.23 g/mol
LogP1.41
Rot. Bonds

About (3aR,8bS)-8b-hydroxy-2,3,3a,4-tetrahydrocyclopenta[a]inden-1-one

(3aR,8bS)-8b-hydroxy-2,3,3a,4-tetrahydrocyclopenta[a]inden-1-one (PubChem CID 102154676) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is (3aR,8bS)-8b-hydroxy-2,3,3a,4-tetrahydrocyclopenta[a]inden-1-one.

Molecular Properties

Compound Name(3aR,8bS)-8b-hydroxy-2,3,3a,4-tetrahydrocyclopenta[a]inden-1-one
PubChem CID102154676
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name(3aR,8bS)-8b-hydroxy-2,3,3a,4-tetrahydrocyclopenta[a]inden-1-one
SMILESO=C1CC[C@@H]2Cc3ccccc3[C@]12O
InChIInChI=1S/C12H12O2/c13-11-6-5-9-7-8-3-1-2-4-10(8)12(9,11)14/h1-4,9,14H,5-7H2/t9-,12+/m1/s1
InChIKeyNNRLVRDUJCMCJA-SKDRFNHKSA-N
XLogP1.41
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aR,8bS)-8b-hydroxy-2,3,3a,4-tetrahydrocyclopenta[a]inden-1-one?
The IUPAC name of (3aR,8bS)-8b-hydroxy-2,3,3a,4-tetrahydrocyclopenta[a]inden-1-one (CID 102154676) is (3aR,8bS)-8b-hydroxy-2,3,3a,4-tetrahydrocyclopenta[a]inden-1-one.
What is the SMILES notation for (3aR,8bS)-8b-hydroxy-2,3,3a,4-tetrahydrocyclopenta[a]inden-1-one?
The canonical SMILES for (3aR,8bS)-8b-hydroxy-2,3,3a,4-tetrahydrocyclopenta[a]inden-1-one is O=C1CC[C@@H]2Cc3ccccc3[C@]12O.
What is the InChIKey of (3aR,8bS)-8b-hydroxy-2,3,3a,4-tetrahydrocyclopenta[a]inden-1-one?
The InChIKey is NNRLVRDUJCMCJA-SKDRFNHKSA-N. The full InChI is InChI=1S/C12H12O2/c13-11-6-5-9-7-8-3-1-2-4-10(8)12(9,11)14/h1-4,9,14H,5-7H2/t9-,12+/m1/s1.
What are the key properties of (3aR,8bS)-8b-hydroxy-2,3,3a,4-tetrahydrocyclopenta[a]inden-1-one?
(3aR,8bS)-8b-hydroxy-2,3,3a,4-tetrahydrocyclopenta[a]inden-1-one has a molecular weight of 188.23 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,8bS)-8b-hydroxy-2,3,3a,4-tetrahydrocyclopenta[a]inden-1-one is sourced from PubChem (CID 102154676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).