(9R)-8,8,9-trimethyl-7,9,10,11-tetrahydrobenzo[b][1,4]benzodiazepine

C16H20N2 — CID 70879624

IUPAC(9R)-8,8,9-trimethyl-7,9,10,11-tetrahydrobenzo[b][1,4]benzodiazepine
SMILESC[C@@H]1CC2=C(C=Nc3ccccc3N2)CC1(C)C
InChIInChI=1S/C16H20N2/c1-11-8-15-12(9-16(11,2)3)10-17-13-6-4-5-7-14(13)18-15/h4-7,10-11,18H,8-9H2,1-3H3/t11-/m1/s1
InChIKeyUCOPJNVLIKABLB-LLVKDONJSA-N
MW240.35 g/mol
LogP4.52
Rot. Bonds

About (9R)-8,8,9-trimethyl-7,9,10,11-tetrahydrobenzo[b][1,4]benzodiazepine

(9R)-8,8,9-trimethyl-7,9,10,11-tetrahydrobenzo[b][1,4]benzodiazepine (PubChem CID 70879624) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (9R)-8,8,9-trimethyl-7,9,10,11-tetrahydrobenzo[b][1,4]benzodiazepine.

Molecular Properties

Compound Name(9R)-8,8,9-trimethyl-7,9,10,11-tetrahydrobenzo[b][1,4]benzodiazepine
PubChem CID70879624
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name(9R)-8,8,9-trimethyl-7,9,10,11-tetrahydrobenzo[b][1,4]benzodiazepine
SMILESC[C@@H]1CC2=C(C=Nc3ccccc3N2)CC1(C)C
InChIInChI=1S/C16H20N2/c1-11-8-15-12(9-16(11,2)3)10-17-13-6-4-5-7-14(13)18-15/h4-7,10-11,18H,8-9H2,1-3H3/t11-/m1/s1
InChIKeyUCOPJNVLIKABLB-LLVKDONJSA-N
XLogP4.52
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (9R)-8,8,9-trimethyl-7,9,10,11-tetrahydrobenzo[b][1,4]benzodiazepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (9R)-8,8,9-trimethyl-7,9,10,11-tetrahydrobenzo[b][1,4]benzodiazepine?
The IUPAC name of (9R)-8,8,9-trimethyl-7,9,10,11-tetrahydrobenzo[b][1,4]benzodiazepine (CID 70879624) is (9R)-8,8,9-trimethyl-7,9,10,11-tetrahydrobenzo[b][1,4]benzodiazepine.
What is the SMILES notation for (9R)-8,8,9-trimethyl-7,9,10,11-tetrahydrobenzo[b][1,4]benzodiazepine?
The canonical SMILES for (9R)-8,8,9-trimethyl-7,9,10,11-tetrahydrobenzo[b][1,4]benzodiazepine is C[C@@H]1CC2=C(C=Nc3ccccc3N2)CC1(C)C.
What is the InChIKey of (9R)-8,8,9-trimethyl-7,9,10,11-tetrahydrobenzo[b][1,4]benzodiazepine?
The InChIKey is UCOPJNVLIKABLB-LLVKDONJSA-N. The full InChI is InChI=1S/C16H20N2/c1-11-8-15-12(9-16(11,2)3)10-17-13-6-4-5-7-14(13)18-15/h4-7,10-11,18H,8-9H2,1-3H3/t11-/m1/s1.
What are the key properties of (9R)-8,8,9-trimethyl-7,9,10,11-tetrahydrobenzo[b][1,4]benzodiazepine?
(9R)-8,8,9-trimethyl-7,9,10,11-tetrahydrobenzo[b][1,4]benzodiazepine has a molecular weight of 240.35 g/mol, XLogP of 4.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-8,8,9-trimethyl-7,9,10,11-tetrahydrobenzo[b][1,4]benzodiazepine is sourced from PubChem (CID 70879624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).