4-(3-azidoprop-1-enyl)naphthalen-1-ol

C13H11N3O — CID 169462413

IUPAC4-(3-azidoprop-1-enyl)naphthalen-1-ol
SMILES[N-]=[N+]=NCC=Cc1ccc(O)c2ccccc12
InChIInChI=1S/C13H11N3O/c14-16-15-9-3-4-10-7-8-13(17)12-6-2-1-5-11(10)12/h1-8,17H,9H2
InChIKeyPQJDWFZSNPQDKH-UHFFFAOYSA-N
MW225.25 g/mol
LogP3.87
Rot. Bonds3

About 4-(3-azidoprop-1-enyl)naphthalen-1-ol

4-(3-azidoprop-1-enyl)naphthalen-1-ol (PubChem CID 169462413) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-(3-azidoprop-1-enyl)naphthalen-1-ol.

Molecular Properties

Compound Name4-(3-azidoprop-1-enyl)naphthalen-1-ol
PubChem CID169462413
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name4-(3-azidoprop-1-enyl)naphthalen-1-ol
SMILES[N-]=[N+]=NCC=Cc1ccc(O)c2ccccc12
InChIInChI=1S/C13H11N3O/c14-16-15-9-3-4-10-7-8-13(17)12-6-2-1-5-11(10)12/h1-8,17H,9H2
InChIKeyPQJDWFZSNPQDKH-UHFFFAOYSA-N
XLogP3.87
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'}

Analyze 4-(3-azidoprop-1-enyl)naphthalen-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-azidoprop-1-enyl)-2,3-difluorophenol
CID 169461687
4-amino-2-(3-azidoprop-1-enyl)phenol
CID 169461517
1-[(E)-3-azidoprop-1-enyl]-4-butoxynaphthalene
CID 159596769
2-(3-azidoprop-1-enyl)benzaldehyde
CID 169461381
2-(3-azidoprop-1-enyl)-5-chlorophenol
CID 169461367
5-(3-azidoprop-1-enyl)-1,2-dihydroacenaphthylene
CID 169462599
2-(3-azidoprop-1-enyl)-6-methylphenol
CID 169461388
3-(3-azidoprop-1-enyl)-4-hydroxybenzoic acid
CID 169462044
1-(3-azidoprop-1-enyl)-2-phenylbenzene
CID 150043798
1-(3-azidoprop-1-enyl)-2-(bromomethyl)benzene
CID 169462718
2-(3-azidoprop-1-enyl)benzenesulfonamide
CID 169462115
4-[(E)-2-naphthalen-1-ylethenyl]naphthalen-1-ol
CID 139980470

Frequently Asked Questions

What is the IUPAC name of 4-(3-azidoprop-1-enyl)naphthalen-1-ol?
The IUPAC name of 4-(3-azidoprop-1-enyl)naphthalen-1-ol (CID 169462413) is 4-(3-azidoprop-1-enyl)naphthalen-1-ol.
What is the SMILES notation for 4-(3-azidoprop-1-enyl)naphthalen-1-ol?
The canonical SMILES for 4-(3-azidoprop-1-enyl)naphthalen-1-ol is [N-]=[N+]=NCC=Cc1ccc(O)c2ccccc12.
What is the InChIKey of 4-(3-azidoprop-1-enyl)naphthalen-1-ol?
The InChIKey is PQJDWFZSNPQDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c14-16-15-9-3-4-10-7-8-13(17)12-6-2-1-5-11(10)12/h1-8,17H,9H2.
What are the key properties of 4-(3-azidoprop-1-enyl)naphthalen-1-ol?
4-(3-azidoprop-1-enyl)naphthalen-1-ol has a molecular weight of 225.25 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-azidoprop-1-enyl)naphthalen-1-ol is sourced from PubChem (CID 169462413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).