7-bromo-N,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]indol-2-amine

C13H15BrN2 — CID 84743385

IUPAC7-bromo-N,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]indol-2-amine
SMILESCNC1Cc2c(n(C)c3ccc(Br)cc23)C1
InChIInChI=1S/C13H15BrN2/c1-15-9-6-11-10-5-8(14)3-4-12(10)16(2)13(11)7-9/h3-5,9,15H,6-7H2,1-2H3
InChIKeyUVNKOTMXOOGMJS-UHFFFAOYSA-N
MW279.18 g/mol
LogP2.63
Rot. Bonds1

About 7-bromo-N,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]indol-2-amine

7-bromo-N,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]indol-2-amine (PubChem CID 84743385) has the molecular formula C13H15BrN2 and a molecular weight of 279.18 g/mol. Its IUPAC name is 7-bromo-N,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]indol-2-amine.

Molecular Properties

Compound Name7-bromo-N,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]indol-2-amine
PubChem CID84743385
Molecular FormulaC13H15BrN2
Molecular Weight279.18 g/mol
Exact Mass278.04
IUPAC Name7-bromo-N,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]indol-2-amine
SMILESCNC1Cc2c(n(C)c3ccc(Br)cc23)C1
InChIInChI=1S/C13H15BrN2/c1-15-9-6-11-10-5-8(14)3-4-12(10)16(2)13(11)7-9/h3-5,9,15H,6-7H2,1-2H3
InChIKeyUVNKOTMXOOGMJS-UHFFFAOYSA-N
XLogP2.63
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-N,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]indol-2-amine?
The IUPAC name of 7-bromo-N,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]indol-2-amine (CID 84743385) is 7-bromo-N,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]indol-2-amine.
What is the SMILES notation for 7-bromo-N,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]indol-2-amine?
The canonical SMILES for 7-bromo-N,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]indol-2-amine is CNC1Cc2c(n(C)c3ccc(Br)cc23)C1.
What is the InChIKey of 7-bromo-N,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]indol-2-amine?
The InChIKey is UVNKOTMXOOGMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2/c1-15-9-6-11-10-5-8(14)3-4-12(10)16(2)13(11)7-9/h3-5,9,15H,6-7H2,1-2H3.
What are the key properties of 7-bromo-N,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]indol-2-amine?
7-bromo-N,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]indol-2-amine has a molecular weight of 279.18 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]indol-2-amine is sourced from PubChem (CID 84743385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).