(3aR,8bS)-4-benzyl-8b-methyl-2,3-dihydro-1H-cyclopenta[b]indol-3a-ol

C19H21NO — CID 134947117

IUPAC(3aR,8bS)-4-benzyl-8b-methyl-2,3-dihydro-1H-cyclopenta[b]indol-3a-ol
SMILESC[C@@]12CCC[C@]1(O)N(Cc1ccccc1)c1ccccc12
InChIInChI=1S/C19H21NO/c1-18-12-7-13-19(18,21)20(14-15-8-3-2-4-9-15)17-11-6-5-10-16(17)18/h2-6,8-11,21H,7,12-14H2,1H3/t18-,19+/m0/s1
InChIKeyARTSSWULTOKCDK-RBUKOAKNSA-N
MW279.38 g/mol
LogP3.84
Rot. Bonds2

About (3aR,8bS)-4-benzyl-8b-methyl-2,3-dihydro-1H-cyclopenta[b]indol-3a-ol

(3aR,8bS)-4-benzyl-8b-methyl-2,3-dihydro-1H-cyclopenta[b]indol-3a-ol (PubChem CID 134947117) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is (3aR,8bS)-4-benzyl-8b-methyl-2,3-dihydro-1H-cyclopenta[b]indol-3a-ol.

Molecular Properties

Compound Name(3aR,8bS)-4-benzyl-8b-methyl-2,3-dihydro-1H-cyclopenta[b]indol-3a-ol
PubChem CID134947117
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name(3aR,8bS)-4-benzyl-8b-methyl-2,3-dihydro-1H-cyclopenta[b]indol-3a-ol
SMILESC[C@@]12CCC[C@]1(O)N(Cc1ccccc1)c1ccccc12
InChIInChI=1S/C19H21NO/c1-18-12-7-13-19(18,21)20(14-15-8-3-2-4-9-15)17-11-6-5-10-16(17)18/h2-6,8-11,21H,7,12-14H2,1H3/t18-,19+/m0/s1
InChIKeyARTSSWULTOKCDK-RBUKOAKNSA-N
XLogP3.84
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3aR,8bS)-4-benzyl-8b-methyl-2,3-dihydro-1H-cyclopenta[b]indol-3a-ol?
The IUPAC name of (3aR,8bS)-4-benzyl-8b-methyl-2,3-dihydro-1H-cyclopenta[b]indol-3a-ol (CID 134947117) is (3aR,8bS)-4-benzyl-8b-methyl-2,3-dihydro-1H-cyclopenta[b]indol-3a-ol.
What is the SMILES notation for (3aR,8bS)-4-benzyl-8b-methyl-2,3-dihydro-1H-cyclopenta[b]indol-3a-ol?
The canonical SMILES for (3aR,8bS)-4-benzyl-8b-methyl-2,3-dihydro-1H-cyclopenta[b]indol-3a-ol is C[C@@]12CCC[C@]1(O)N(Cc1ccccc1)c1ccccc12.
What is the InChIKey of (3aR,8bS)-4-benzyl-8b-methyl-2,3-dihydro-1H-cyclopenta[b]indol-3a-ol?
The InChIKey is ARTSSWULTOKCDK-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H21NO/c1-18-12-7-13-19(18,21)20(14-15-8-3-2-4-9-15)17-11-6-5-10-16(17)18/h2-6,8-11,21H,7,12-14H2,1H3/t18-,19+/m0/s1.
What are the key properties of (3aR,8bS)-4-benzyl-8b-methyl-2,3-dihydro-1H-cyclopenta[b]indol-3a-ol?
(3aR,8bS)-4-benzyl-8b-methyl-2,3-dihydro-1H-cyclopenta[b]indol-3a-ol has a molecular weight of 279.38 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,8bS)-4-benzyl-8b-methyl-2,3-dihydro-1H-cyclopenta[b]indol-3a-ol is sourced from PubChem (CID 134947117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).