(3aR)-spiro[2,3,3a,5-tetrahydro-1H-cyclopenta[c][1,5]benzodiazepine-4,1'-cyclopentane]

C16H20N2 — CID 789310

IUPAC(3aR)-spiro[2,3,3a,5-tetrahydro-1H-cyclopenta[c][1,5]benzodiazepine-4,1'-cyclopentane]
SMILESc1ccc2c(c1)N=C1CCC[C@@H]1C1(CCCC1)N2
InChIInChI=1S/C16H20N2/c1-2-8-15-14(7-1)17-13-9-5-6-12(13)16(18-15)10-3-4-11-16/h1-2,7-8,12,18H,3-6,9-11H2/t12-/m0/s1
InChIKeyZMAQKOYZRKTVQG-LBPRGKRZSA-N
MW240.35 g/mol
LogP4.30
Rot. Bonds

About (3aR)-spiro[2,3,3a,5-tetrahydro-1H-cyclopenta[c][1,5]benzodiazepine-4,1'-cyclopentane]

(3aR)-spiro[2,3,3a,5-tetrahydro-1H-cyclopenta[c][1,5]benzodiazepine-4,1'-cyclopentane] (PubChem CID 789310) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (3aR)-spiro[2,3,3a,5-tetrahydro-1H-cyclopenta[c][1,5]benzodiazepine-4,1'-cyclopentane].

Molecular Properties

Compound Name(3aR)-spiro[2,3,3a,5-tetrahydro-1H-cyclopenta[c][1,5]benzodiazepine-4,1'-cyclopentane]
PubChem CID789310
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name(3aR)-spiro[2,3,3a,5-tetrahydro-1H-cyclopenta[c][1,5]benzodiazepine-4,1'-cyclopentane]
SMILESc1ccc2c(c1)N=C1CCC[C@@H]1C1(CCCC1)N2
InChIInChI=1S/C16H20N2/c1-2-8-15-14(7-1)17-13-9-5-6-12(13)16(18-15)10-3-4-11-16/h1-2,7-8,12,18H,3-6,9-11H2/t12-/m0/s1
InChIKeyZMAQKOYZRKTVQG-LBPRGKRZSA-N
XLogP4.30
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 ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3aR)-spiro[2,3,3a,5-tetrahydro-1H-cyclopenta[c][1,5]benzodiazepine-4,1'-cyclopentane] 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 (3aR)-spiro[2,3,3a,5-tetrahydro-1H-cyclopenta[c][1,5]benzodiazepine-4,1'-cyclopentane]?
The IUPAC name of (3aR)-spiro[2,3,3a,5-tetrahydro-1H-cyclopenta[c][1,5]benzodiazepine-4,1'-cyclopentane] (CID 789310) is (3aR)-spiro[2,3,3a,5-tetrahydro-1H-cyclopenta[c][1,5]benzodiazepine-4,1'-cyclopentane].
What is the SMILES notation for (3aR)-spiro[2,3,3a,5-tetrahydro-1H-cyclopenta[c][1,5]benzodiazepine-4,1'-cyclopentane]?
The canonical SMILES for (3aR)-spiro[2,3,3a,5-tetrahydro-1H-cyclopenta[c][1,5]benzodiazepine-4,1'-cyclopentane] is c1ccc2c(c1)N=C1CCC[C@@H]1C1(CCCC1)N2.
What is the InChIKey of (3aR)-spiro[2,3,3a,5-tetrahydro-1H-cyclopenta[c][1,5]benzodiazepine-4,1'-cyclopentane]?
The InChIKey is ZMAQKOYZRKTVQG-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20N2/c1-2-8-15-14(7-1)17-13-9-5-6-12(13)16(18-15)10-3-4-11-16/h1-2,7-8,12,18H,3-6,9-11H2/t12-/m0/s1.
What are the key properties of (3aR)-spiro[2,3,3a,5-tetrahydro-1H-cyclopenta[c][1,5]benzodiazepine-4,1'-cyclopentane]?
(3aR)-spiro[2,3,3a,5-tetrahydro-1H-cyclopenta[c][1,5]benzodiazepine-4,1'-cyclopentane] has a molecular weight of 240.35 g/mol, XLogP of 4.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR)-spiro[2,3,3a,5-tetrahydro-1H-cyclopenta[c][1,5]benzodiazepine-4,1'-cyclopentane] is sourced from PubChem (CID 789310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).