1-(2-azidobut-3-enyl)naphthalene

C14H13N3 — CID 150731368

IUPAC1-(2-azidobut-3-enyl)naphthalene
SMILESC=CC(Cc1cccc2ccccc12)N=[N+]=[N-]
InChIInChI=1S/C14H13N3/c1-2-13(16-17-15)10-12-8-5-7-11-6-3-4-9-14(11)12/h2-9,13H,1,10H2
InChIKeyJRXLKNVGXFVYQK-UHFFFAOYSA-N
MW223.28 g/mol
LogP4.25
Rot. Bonds4

About 1-(2-azidobut-3-enyl)naphthalene

1-(2-azidobut-3-enyl)naphthalene (PubChem CID 150731368) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-(2-azidobut-3-enyl)naphthalene.

Molecular Properties

Compound Name1-(2-azidobut-3-enyl)naphthalene
PubChem CID150731368
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name1-(2-azidobut-3-enyl)naphthalene
SMILESC=CC(Cc1cccc2ccccc12)N=[N+]=[N-]
InChIInChI=1S/C14H13N3/c1-2-13(16-17-15)10-12-8-5-7-11-6-3-4-9-14(11)12/h2-9,13H,1,10H2
InChIKeyJRXLKNVGXFVYQK-UHFFFAOYSA-N
XLogP4.25
TPSA48.76 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 54.25
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

1-naphthalen-1-yl-N-propylbut-3-en-2-amine
CID 105161170
(2S)-1-naphthalen-1-ylbutan-2-amine
CID 178163209
4-N-methyl-1-naphthalen-1-ylhex-5-ene-2,4-diamine
CID 155697932
formaldehyde;1-prop-2-enylnaphthalene
CID 69326534
naphthalen-1-ylmethyl(triphenyl)phosphanium
CID 2734114
1-(2-chloropropyl)naphthalene
CID 12809422
1-chloro-2-naphthalen-1-ylethanol
CID 54087449
1,1,1-trifluoro-3-naphthalen-1-ylpropan-2-ol
CID 62963158
1-(2,2-diethoxyethyl)naphthalene
CID 146004800
1-azido-3-(naphthalen-1-ylmethoxy)propan-2-ol
CID 78066817
CID 57419547
CID 57419547
[2-(naphthalen-1-ylmethyl)-3-phosphonopropyl]phosphonic acid
CID 88666663

Frequently Asked Questions

What is the IUPAC name of 1-(2-azidobut-3-enyl)naphthalene?
The IUPAC name of 1-(2-azidobut-3-enyl)naphthalene (CID 150731368) is 1-(2-azidobut-3-enyl)naphthalene.
What is the SMILES notation for 1-(2-azidobut-3-enyl)naphthalene?
The canonical SMILES for 1-(2-azidobut-3-enyl)naphthalene is C=CC(Cc1cccc2ccccc12)N=[N+]=[N-].
What is the InChIKey of 1-(2-azidobut-3-enyl)naphthalene?
The InChIKey is JRXLKNVGXFVYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-2-13(16-17-15)10-12-8-5-7-11-6-3-4-9-14(11)12/h2-9,13H,1,10H2.
What are the key properties of 1-(2-azidobut-3-enyl)naphthalene?
1-(2-azidobut-3-enyl)naphthalene has a molecular weight of 223.28 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azidobut-3-enyl)naphthalene is sourced from PubChem (CID 150731368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).