7-bromo-5,10-dimethyl-2,3-dihydro-1H-azepino[3,4-b]indole

C14H15BrN2 — CID 155930435

IUPAC7-bromo-5,10-dimethyl-2,3-dihydro-1H-azepino[3,4-b]indole
SMILESCC1=CCNCc2c1c1cc(Br)ccc1n2C
InChIInChI=1S/C14H15BrN2/c1-9-5-6-16-8-13-14(9)11-7-10(15)3-4-12(11)17(13)2/h3-5,7,16H,6,8H2,1-2H3
InChIKeyMHAOVMRDMJSNFE-UHFFFAOYSA-N
MW291.19 g/mol
LogP3.45
Rot. Bonds

About 7-bromo-5,10-dimethyl-2,3-dihydro-1H-azepino[3,4-b]indole

7-bromo-5,10-dimethyl-2,3-dihydro-1H-azepino[3,4-b]indole (PubChem CID 155930435) has the molecular formula C14H15BrN2 and a molecular weight of 291.19 g/mol. Its IUPAC name is 7-bromo-5,10-dimethyl-2,3-dihydro-1H-azepino[3,4-b]indole.

Molecular Properties

Compound Name7-bromo-5,10-dimethyl-2,3-dihydro-1H-azepino[3,4-b]indole
PubChem CID155930435
Molecular FormulaC14H15BrN2
Molecular Weight291.19 g/mol
Exact Mass290.04
IUPAC Name7-bromo-5,10-dimethyl-2,3-dihydro-1H-azepino[3,4-b]indole
SMILESCC1=CCNCc2c1c1cc(Br)ccc1n2C
InChIInChI=1S/C14H15BrN2/c1-9-5-6-16-8-13-14(9)11-7-10(15)3-4-12(11)17(13)2/h3-5,7,16H,6,8H2,1-2H3
InChIKeyMHAOVMRDMJSNFE-UHFFFAOYSA-N
XLogP3.45
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.19
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5,10-dimethyl-2,3-dihydro-1H-azepino[3,4-b]indole?
The IUPAC name of 7-bromo-5,10-dimethyl-2,3-dihydro-1H-azepino[3,4-b]indole (CID 155930435) is 7-bromo-5,10-dimethyl-2,3-dihydro-1H-azepino[3,4-b]indole.
What is the SMILES notation for 7-bromo-5,10-dimethyl-2,3-dihydro-1H-azepino[3,4-b]indole?
The canonical SMILES for 7-bromo-5,10-dimethyl-2,3-dihydro-1H-azepino[3,4-b]indole is CC1=CCNCc2c1c1cc(Br)ccc1n2C.
What is the InChIKey of 7-bromo-5,10-dimethyl-2,3-dihydro-1H-azepino[3,4-b]indole?
The InChIKey is MHAOVMRDMJSNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2/c1-9-5-6-16-8-13-14(9)11-7-10(15)3-4-12(11)17(13)2/h3-5,7,16H,6,8H2,1-2H3.
What are the key properties of 7-bromo-5,10-dimethyl-2,3-dihydro-1H-azepino[3,4-b]indole?
7-bromo-5,10-dimethyl-2,3-dihydro-1H-azepino[3,4-b]indole has a molecular weight of 291.19 g/mol, XLogP of 3.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5,10-dimethyl-2,3-dihydro-1H-azepino[3,4-b]indole is sourced from PubChem (CID 155930435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).