2-(azidomethyl)naphthalene

C11H9N3 — CID 10442365

IUPAC2-(azidomethyl)naphthalene
SMILES[N-]=[N+]=NCc1ccc2ccccc2c1
InChIInChI=1S/C11H9N3/c12-14-13-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2
InChIKeyKEXRVNUJCRPPRE-UHFFFAOYSA-N
MW183.21 g/mol
LogP3.65
Rot. Bonds2

About 2-(azidomethyl)naphthalene

2-(azidomethyl)naphthalene (PubChem CID 10442365) has the molecular formula C11H9N3 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-(azidomethyl)naphthalene.

Molecular Properties

Compound Name2-(azidomethyl)naphthalene
PubChem CID10442365
Molecular FormulaC11H9N3
Molecular Weight183.21 g/mol
Exact Mass183.08
IUPAC Name2-(azidomethyl)naphthalene
SMILES[N-]=[N+]=NCc1ccc2ccccc2c1
InChIInChI=1S/C11H9N3/c12-14-13-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2
InChIKeyKEXRVNUJCRPPRE-UHFFFAOYSA-N
XLogP3.65
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 53.65
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)naphthalene?
The IUPAC name of 2-(azidomethyl)naphthalene (CID 10442365) is 2-(azidomethyl)naphthalene.
What is the SMILES notation for 2-(azidomethyl)naphthalene?
The canonical SMILES for 2-(azidomethyl)naphthalene is [N-]=[N+]=NCc1ccc2ccccc2c1.
What is the InChIKey of 2-(azidomethyl)naphthalene?
The InChIKey is KEXRVNUJCRPPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3/c12-14-13-8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7H,8H2.
What are the key properties of 2-(azidomethyl)naphthalene?
2-(azidomethyl)naphthalene has a molecular weight of 183.21 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azidomethyl)naphthalene is sourced from PubChem (CID 10442365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).