(4bS,9bR)-5,8-dimethyl-9b,10-dihydro-4bH-indeno[1,2-b]indole

C17H17N — CID 57298321

IUPAC(4bS,9bR)-5,8-dimethyl-9b,10-dihydro-4bH-indeno[1,2-b]indole
SMILESCc1ccc2c(c1)[C@H]1Cc3ccccc3[C@H]1N2C
InChIInChI=1S/C17H17N/c1-11-7-8-16-14(9-11)15-10-12-5-3-4-6-13(12)17(15)18(16)2/h3-9,15,17H,10H2,1-2H3/t15-,17-/m1/s1
InChIKeyCNEUKIJAWAXLTQ-NVXWUHKLSA-N
MW235.33 g/mol
LogP3.83
Rot. Bonds

About (4bS,9bR)-5,8-dimethyl-9b,10-dihydro-4bH-indeno[1,2-b]indole

(4bS,9bR)-5,8-dimethyl-9b,10-dihydro-4bH-indeno[1,2-b]indole (PubChem CID 57298321) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is (4bS,9bR)-5,8-dimethyl-9b,10-dihydro-4bH-indeno[1,2-b]indole.

Molecular Properties

Compound Name(4bS,9bR)-5,8-dimethyl-9b,10-dihydro-4bH-indeno[1,2-b]indole
PubChem CID57298321
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC Name(4bS,9bR)-5,8-dimethyl-9b,10-dihydro-4bH-indeno[1,2-b]indole
SMILESCc1ccc2c(c1)[C@H]1Cc3ccccc3[C@H]1N2C
InChIInChI=1S/C17H17N/c1-11-7-8-16-14(9-11)15-10-12-5-3-4-6-13(12)17(15)18(16)2/h3-9,15,17H,10H2,1-2H3/t15-,17-/m1/s1
InChIKeyCNEUKIJAWAXLTQ-NVXWUHKLSA-N
XLogP3.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.83
H-Bond Donors ≤ 50
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)-5,8-dimethyl-9b,10-dihydro-4bH-indeno[1,2-b]indole?
The IUPAC name of (4bS,9bR)-5,8-dimethyl-9b,10-dihydro-4bH-indeno[1,2-b]indole (CID 57298321) is (4bS,9bR)-5,8-dimethyl-9b,10-dihydro-4bH-indeno[1,2-b]indole.
What is the SMILES notation for (4bS,9bR)-5,8-dimethyl-9b,10-dihydro-4bH-indeno[1,2-b]indole?
The canonical SMILES for (4bS,9bR)-5,8-dimethyl-9b,10-dihydro-4bH-indeno[1,2-b]indole is Cc1ccc2c(c1)[C@H]1Cc3ccccc3[C@H]1N2C.
What is the InChIKey of (4bS,9bR)-5,8-dimethyl-9b,10-dihydro-4bH-indeno[1,2-b]indole?
The InChIKey is CNEUKIJAWAXLTQ-NVXWUHKLSA-N. The full InChI is InChI=1S/C17H17N/c1-11-7-8-16-14(9-11)15-10-12-5-3-4-6-13(12)17(15)18(16)2/h3-9,15,17H,10H2,1-2H3/t15-,17-/m1/s1.
What are the key properties of (4bS,9bR)-5,8-dimethyl-9b,10-dihydro-4bH-indeno[1,2-b]indole?
(4bS,9bR)-5,8-dimethyl-9b,10-dihydro-4bH-indeno[1,2-b]indole has a molecular weight of 235.33 g/mol, XLogP of 3.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4bS,9bR)-5,8-dimethyl-9b,10-dihydro-4bH-indeno[1,2-b]indole is sourced from PubChem (CID 57298321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).