7-bromotricyclo[6.2.0.03,6]deca-1,3(6),7-trien-2-amine

C10H10BrN — CID 165370223

IUPAC7-bromotricyclo[6.2.0.03,6]deca-1,3(6),7-trien-2-amine
SMILESNc1c2c(c(Br)c3c1CC3)CC2
InChIInChI=1S/C10H10BrN/c11-9-5-1-3-7(5)10(12)8-4-2-6(8)9/h1-4,12H2
InChIKeyJMKLZFSWLLOICA-UHFFFAOYSA-N
MW224.10 g/mol
LogP2.23
Rot. Bonds

About 7-bromotricyclo[6.2.0.03,6]deca-1,3(6),7-trien-2-amine

7-bromotricyclo[6.2.0.03,6]deca-1,3(6),7-trien-2-amine (PubChem CID 165370223) has the molecular formula C10H10BrN and a molecular weight of 224.10 g/mol. Its IUPAC name is 7-bromotricyclo[6.2.0.03,6]deca-1,3(6),7-trien-2-amine.

Molecular Properties

Compound Name7-bromotricyclo[6.2.0.03,6]deca-1,3(6),7-trien-2-amine
PubChem CID165370223
Molecular FormulaC10H10BrN
Molecular Weight224.10 g/mol
Exact Mass223.00
IUPAC Name7-bromotricyclo[6.2.0.03,6]deca-1,3(6),7-trien-2-amine
SMILESNc1c2c(c(Br)c3c1CC3)CC2
InChIInChI=1S/C10H10BrN/c11-9-5-1-3-7(5)10(12)8-4-2-6(8)9/h1-4,12H2
InChIKeyJMKLZFSWLLOICA-UHFFFAOYSA-N
XLogP2.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.10
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5,6,7,8-tetrahydronaphthalene-1,2,3,4-tetramine
CID 163637874
8-methyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine
CID 122480741
2-bromotricyclo[6.3.0.03,6]undeca-1,3(6),7-triene
CID 170565054
8-ethynyl-1,2,3,5,6,7-hexahydro-s-indacen-4-amine
CID 155571395
5-bromo-6-methyl-2,3-dihydro-1H-inden-4-amine
CID 146380579
4,6-dibromo-2,3-dihydro-1H-indene-1,5-diamine
CID 58962980
2,4,6-tribromo-3,5-diiodoaniline
CID 4172413
2,4,6-tribromo-5-methylbenzene-1,3-diamine
CID 157076540
6-bromo-1-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 84702414
2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-4-ium-9-amine
CID 7071102
7-bromo-6-fluoro-2,3-dihydro-1H-inden-5-amine
CID 170283398
4,5-diamino-3,6-dibromobenzene-1,2-dicarbonitrile
CID 121374097

Frequently Asked Questions

What is the IUPAC name of 7-bromotricyclo[6.2.0.03,6]deca-1,3(6),7-trien-2-amine?
The IUPAC name of 7-bromotricyclo[6.2.0.03,6]deca-1,3(6),7-trien-2-amine (CID 165370223) is 7-bromotricyclo[6.2.0.03,6]deca-1,3(6),7-trien-2-amine.
What is the SMILES notation for 7-bromotricyclo[6.2.0.03,6]deca-1,3(6),7-trien-2-amine?
The canonical SMILES for 7-bromotricyclo[6.2.0.03,6]deca-1,3(6),7-trien-2-amine is Nc1c2c(c(Br)c3c1CC3)CC2.
What is the InChIKey of 7-bromotricyclo[6.2.0.03,6]deca-1,3(6),7-trien-2-amine?
The InChIKey is JMKLZFSWLLOICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN/c11-9-5-1-3-7(5)10(12)8-4-2-6(8)9/h1-4,12H2.
What are the key properties of 7-bromotricyclo[6.2.0.03,6]deca-1,3(6),7-trien-2-amine?
7-bromotricyclo[6.2.0.03,6]deca-1,3(6),7-trien-2-amine has a molecular weight of 224.10 g/mol, XLogP of 2.23, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromotricyclo[6.2.0.03,6]deca-1,3(6),7-trien-2-amine is sourced from PubChem (CID 165370223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).