2-(azidomethyl)-2,3-dihydronaphthalene

C11H11N3 — CID 174511419

IUPAC2-(azidomethyl)-2,3-dihydronaphthalene
SMILES[N-]=[N+]=NCC1C=c2ccccc2=CC1
InChIInChI=1S/C11H11N3/c12-14-13-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-4,6-7,9H,5,8H2
InChIKeyOEACLDBUHCFPNA-UHFFFAOYSA-N
MW185.23 g/mol
LogP1.58
Rot. Bonds2

About 2-(azidomethyl)-2,3-dihydronaphthalene

2-(azidomethyl)-2,3-dihydronaphthalene (PubChem CID 174511419) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is 2-(azidomethyl)-2,3-dihydronaphthalene.

Molecular Properties

Compound Name2-(azidomethyl)-2,3-dihydronaphthalene
PubChem CID174511419
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Name2-(azidomethyl)-2,3-dihydronaphthalene
SMILES[N-]=[N+]=NCC1C=c2ccccc2=CC1
InChIInChI=1S/C11H11N3/c12-14-13-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-4,6-7,9H,5,8H2
InChIKeyOEACLDBUHCFPNA-UHFFFAOYSA-N
XLogP1.58
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(azidomethyl)-2,3-dihydronaphthalene?
The IUPAC name of 2-(azidomethyl)-2,3-dihydronaphthalene (CID 174511419) is 2-(azidomethyl)-2,3-dihydronaphthalene.
What is the SMILES notation for 2-(azidomethyl)-2,3-dihydronaphthalene?
The canonical SMILES for 2-(azidomethyl)-2,3-dihydronaphthalene is [N-]=[N+]=NCC1C=c2ccccc2=CC1.
What is the InChIKey of 2-(azidomethyl)-2,3-dihydronaphthalene?
The InChIKey is OEACLDBUHCFPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3/c12-14-13-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-4,6-7,9H,5,8H2.
What are the key properties of 2-(azidomethyl)-2,3-dihydronaphthalene?
2-(azidomethyl)-2,3-dihydronaphthalene has a molecular weight of 185.23 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azidomethyl)-2,3-dihydronaphthalene is sourced from PubChem (CID 174511419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).