(2R,4aR)-6-bromo-2-methyl-4a-propan-2-yl-1,2,3,4-tetrahydrocarbazole

C16H20BrN — CID 139200457

IUPAC(2R,4aR)-6-bromo-2-methyl-4a-propan-2-yl-1,2,3,4-tetrahydrocarbazole
SMILESCC(C)[C@@]12CC[C@@H](C)CC1=Nc1ccc(Br)cc12
InChIInChI=1S/C16H20BrN/c1-10(2)16-7-6-11(3)8-15(16)18-14-5-4-12(17)9-13(14)16/h4-5,9-11H,6-8H2,1-3H3/t11-,16-/m1/s1
InChIKeyYZJFBMYCFWSLFH-BDJLRTHQSA-N
MW306.25 g/mol
LogP5.25
Rot. Bonds1

About (2R,4aR)-6-bromo-2-methyl-4a-propan-2-yl-1,2,3,4-tetrahydrocarbazole

(2R,4aR)-6-bromo-2-methyl-4a-propan-2-yl-1,2,3,4-tetrahydrocarbazole (PubChem CID 139200457) has the molecular formula C16H20BrN and a molecular weight of 306.25 g/mol. Its IUPAC name is (2R,4aR)-6-bromo-2-methyl-4a-propan-2-yl-1,2,3,4-tetrahydrocarbazole.

Molecular Properties

Compound Name(2R,4aR)-6-bromo-2-methyl-4a-propan-2-yl-1,2,3,4-tetrahydrocarbazole
PubChem CID139200457
Molecular FormulaC16H20BrN
Molecular Weight306.25 g/mol
Exact Mass305.08
IUPAC Name(2R,4aR)-6-bromo-2-methyl-4a-propan-2-yl-1,2,3,4-tetrahydrocarbazole
SMILESCC(C)[C@@]12CC[C@@H](C)CC1=Nc1ccc(Br)cc12
InChIInChI=1S/C16H20BrN/c1-10(2)16-7-6-11(3)8-15(16)18-14-5-4-12(17)9-13(14)16/h4-5,9-11H,6-8H2,1-3H3/t11-,16-/m1/s1
InChIKeyYZJFBMYCFWSLFH-BDJLRTHQSA-N
XLogP5.25
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.25
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2R,4aR)-6-bromo-2-methyl-4a-propan-2-yl-1,2,3,4-tetrahydrocarbazole 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 (2R,4aR)-6-bromo-2-methyl-4a-propan-2-yl-1,2,3,4-tetrahydrocarbazole?
The IUPAC name of (2R,4aR)-6-bromo-2-methyl-4a-propan-2-yl-1,2,3,4-tetrahydrocarbazole (CID 139200457) is (2R,4aR)-6-bromo-2-methyl-4a-propan-2-yl-1,2,3,4-tetrahydrocarbazole.
What is the SMILES notation for (2R,4aR)-6-bromo-2-methyl-4a-propan-2-yl-1,2,3,4-tetrahydrocarbazole?
The canonical SMILES for (2R,4aR)-6-bromo-2-methyl-4a-propan-2-yl-1,2,3,4-tetrahydrocarbazole is CC(C)[C@@]12CC[C@@H](C)CC1=Nc1ccc(Br)cc12.
What is the InChIKey of (2R,4aR)-6-bromo-2-methyl-4a-propan-2-yl-1,2,3,4-tetrahydrocarbazole?
The InChIKey is YZJFBMYCFWSLFH-BDJLRTHQSA-N. The full InChI is InChI=1S/C16H20BrN/c1-10(2)16-7-6-11(3)8-15(16)18-14-5-4-12(17)9-13(14)16/h4-5,9-11H,6-8H2,1-3H3/t11-,16-/m1/s1.
What are the key properties of (2R,4aR)-6-bromo-2-methyl-4a-propan-2-yl-1,2,3,4-tetrahydrocarbazole?
(2R,4aR)-6-bromo-2-methyl-4a-propan-2-yl-1,2,3,4-tetrahydrocarbazole has a molecular weight of 306.25 g/mol, XLogP of 5.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4aR)-6-bromo-2-methyl-4a-propan-2-yl-1,2,3,4-tetrahydrocarbazole is sourced from PubChem (CID 139200457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).