1,2-dihydroacenaphthylen-3-amine;hydrobromide

C12H12BrN — CID 158935493

IUPAC1,2-dihydroacenaphthylen-3-amine;hydrobromide
SMILESBr.Nc1ccc2cccc3c2c1CC3
InChIInChI=1S/C12H11N.BrH/c13-11-7-5-9-3-1-2-8-4-6-10(11)12(8)9;/h1-3,5,7H,4,6,13H2;1H
InChIKeyJJPAZDVKZVOIDY-UHFFFAOYSA-N
MW250.14 g/mol
LogP3.10
Rot. Bonds

About 1,2-dihydroacenaphthylen-3-amine;hydrobromide

1,2-dihydroacenaphthylen-3-amine;hydrobromide (PubChem CID 158935493) has the molecular formula C12H12BrN and a molecular weight of 250.14 g/mol. Its IUPAC name is 1,2-dihydroacenaphthylen-3-amine;hydrobromide.

Molecular Properties

Compound Name1,2-dihydroacenaphthylen-3-amine;hydrobromide
PubChem CID158935493
Molecular FormulaC12H12BrN
Molecular Weight250.14 g/mol
Exact Mass249.02
IUPAC Name1,2-dihydroacenaphthylen-3-amine;hydrobromide
SMILESBr.Nc1ccc2cccc3c2c1CC3
InChIInChI=1S/C12H11N.BrH/c13-11-7-5-9-3-1-2-8-4-6-10(11)12(8)9;/h1-3,5,7H,4,6,13H2;1H
InChIKeyJJPAZDVKZVOIDY-UHFFFAOYSA-N
XLogP3.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.14
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroacenaphthylen-3-amine;hydrobromide?
The IUPAC name of 1,2-dihydroacenaphthylen-3-amine;hydrobromide (CID 158935493) is 1,2-dihydroacenaphthylen-3-amine;hydrobromide.
What is the SMILES notation for 1,2-dihydroacenaphthylen-3-amine;hydrobromide?
The canonical SMILES for 1,2-dihydroacenaphthylen-3-amine;hydrobromide is Br.Nc1ccc2cccc3c2c1CC3.
What is the InChIKey of 1,2-dihydroacenaphthylen-3-amine;hydrobromide?
The InChIKey is JJPAZDVKZVOIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N.BrH/c13-11-7-5-9-3-1-2-8-4-6-10(11)12(8)9;/h1-3,5,7H,4,6,13H2;1H.
What are the key properties of 1,2-dihydroacenaphthylen-3-amine;hydrobromide?
1,2-dihydroacenaphthylen-3-amine;hydrobromide has a molecular weight of 250.14 g/mol, XLogP of 3.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroacenaphthylen-3-amine;hydrobromide is sourced from PubChem (CID 158935493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).