(4bS,9bR)-8-propan-2-yl-4b,5,9b,10-tetrahydroindeno[1,2-b]indole

C18H19N — CID 1229702

IUPAC(4bS,9bR)-8-propan-2-yl-4b,5,9b,10-tetrahydroindeno[1,2-b]indole
SMILESCC(C)c1ccc2c(c1)[C@H]1Cc3ccccc3[C@H]1N2
InChIInChI=1S/C18H19N/c1-11(2)12-7-8-17-15(9-12)16-10-13-5-3-4-6-14(13)18(16)19-17/h3-9,11,16,18-19H,10H2,1-2H3/t16-,18-/m1/s1
InChIKeyZXUTUFBDUNXMLT-SJLPKXTDSA-N
MW249.36 g/mol
LogP4.62
Rot. Bonds1

About (4bS,9bR)-8-propan-2-yl-4b,5,9b,10-tetrahydroindeno[1,2-b]indole

(4bS,9bR)-8-propan-2-yl-4b,5,9b,10-tetrahydroindeno[1,2-b]indole (PubChem CID 1229702) has the molecular formula C18H19N and a molecular weight of 249.36 g/mol. Its IUPAC name is (4bS,9bR)-8-propan-2-yl-4b,5,9b,10-tetrahydroindeno[1,2-b]indole.

Molecular Properties

Compound Name(4bS,9bR)-8-propan-2-yl-4b,5,9b,10-tetrahydroindeno[1,2-b]indole
PubChem CID1229702
Molecular FormulaC18H19N
Molecular Weight249.36 g/mol
Exact Mass249.15
IUPAC Name(4bS,9bR)-8-propan-2-yl-4b,5,9b,10-tetrahydroindeno[1,2-b]indole
SMILESCC(C)c1ccc2c(c1)[C@H]1Cc3ccccc3[C@H]1N2
InChIInChI=1S/C18H19N/c1-11(2)12-7-8-17-15(9-12)16-10-13-5-3-4-6-14(13)18(16)19-17/h3-9,11,16,18-19H,10H2,1-2H3/t16-,18-/m1/s1
InChIKeyZXUTUFBDUNXMLT-SJLPKXTDSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_alk_indane(1)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4bS,9bR)-8-propan-2-yl-4b,5,9b,10-tetrahydroindeno[1,2-b]indole?
The IUPAC name of (4bS,9bR)-8-propan-2-yl-4b,5,9b,10-tetrahydroindeno[1,2-b]indole (CID 1229702) is (4bS,9bR)-8-propan-2-yl-4b,5,9b,10-tetrahydroindeno[1,2-b]indole.
What is the SMILES notation for (4bS,9bR)-8-propan-2-yl-4b,5,9b,10-tetrahydroindeno[1,2-b]indole?
The canonical SMILES for (4bS,9bR)-8-propan-2-yl-4b,5,9b,10-tetrahydroindeno[1,2-b]indole is CC(C)c1ccc2c(c1)[C@H]1Cc3ccccc3[C@H]1N2.
What is the InChIKey of (4bS,9bR)-8-propan-2-yl-4b,5,9b,10-tetrahydroindeno[1,2-b]indole?
The InChIKey is ZXUTUFBDUNXMLT-SJLPKXTDSA-N. The full InChI is InChI=1S/C18H19N/c1-11(2)12-7-8-17-15(9-12)16-10-13-5-3-4-6-14(13)18(16)19-17/h3-9,11,16,18-19H,10H2,1-2H3/t16-,18-/m1/s1.
What are the key properties of (4bS,9bR)-8-propan-2-yl-4b,5,9b,10-tetrahydroindeno[1,2-b]indole?
(4bS,9bR)-8-propan-2-yl-4b,5,9b,10-tetrahydroindeno[1,2-b]indole has a molecular weight of 249.36 g/mol, XLogP of 4.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4bS,9bR)-8-propan-2-yl-4b,5,9b,10-tetrahydroindeno[1,2-b]indole is sourced from PubChem (CID 1229702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).