4-amino-2-(3-azidoprop-1-enyl)phenol

C9H10N4O — CID 169461517

IUPAC4-amino-2-(3-azidoprop-1-enyl)phenol
SMILES[N-]=[N+]=NCC=Cc1cc(N)ccc1O
InChIInChI=1S/C9H10N4O/c10-8-3-4-9(14)7(6-8)2-1-5-12-13-11/h1-4,6,14H,5,10H2
InChIKeyMFMVQLPVEZZLIE-UHFFFAOYSA-N
MW190.21 g/mol
LogP2.30
Rot. Bonds3

About 4-amino-2-(3-azidoprop-1-enyl)phenol

4-amino-2-(3-azidoprop-1-enyl)phenol (PubChem CID 169461517) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 4-amino-2-(3-azidoprop-1-enyl)phenol.

Molecular Properties

Compound Name4-amino-2-(3-azidoprop-1-enyl)phenol
PubChem CID169461517
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name4-amino-2-(3-azidoprop-1-enyl)phenol
SMILES[N-]=[N+]=NCC=Cc1cc(N)ccc1O
InChIInChI=1S/C9H10N4O/c10-8-3-4-9(14)7(6-8)2-1-5-12-13-11/h1-4,6,14H,5,10H2
InChIKeyMFMVQLPVEZZLIE-UHFFFAOYSA-N
XLogP2.30
TPSA95.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-azidoprop-1-enyl)-4-fluoroaniline
CID 169461451
3-(3-azidoprop-1-enyl)-4-hydroxybenzoic acid
CID 169462044
4-(3-azidoprop-1-enyl)-2,3-difluorophenol
CID 169461687
4-(3-azidoprop-1-enyl)naphthalen-1-ol
CID 169462413
2-(3-azidoprop-1-enyl)-5-chlorophenol
CID 169461367
methyl 5-amino-2-(3-azidoprop-1-enyl)benzoate
CID 169462355
4-(3-azidoprop-1-enyl)benzene-1,2-diamine
CID 169461436
5-(3-azidoprop-1-enyl)-6-methylpyridin-3-amine
CID 169461413
5-(3-azidoprop-1-enyl)-6-methylpyridin-2-amine
CID 169461414
methyl 4-(3-azidoprop-1-enyl)-3-hydroxybenzoate
CID 169462797
2-(3-azidoprop-1-enyl)-4,6-dimethylaniline
CID 169461771
2-(3-azidoprop-1-enyl)-6-chloropyridin-3-ol
CID 169462758

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3-azidoprop-1-enyl)phenol?
The IUPAC name of 4-amino-2-(3-azidoprop-1-enyl)phenol (CID 169461517) is 4-amino-2-(3-azidoprop-1-enyl)phenol.
What is the SMILES notation for 4-amino-2-(3-azidoprop-1-enyl)phenol?
The canonical SMILES for 4-amino-2-(3-azidoprop-1-enyl)phenol is [N-]=[N+]=NCC=Cc1cc(N)ccc1O.
What is the InChIKey of 4-amino-2-(3-azidoprop-1-enyl)phenol?
The InChIKey is MFMVQLPVEZZLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c10-8-3-4-9(14)7(6-8)2-1-5-12-13-11/h1-4,6,14H,5,10H2.
What are the key properties of 4-amino-2-(3-azidoprop-1-enyl)phenol?
4-amino-2-(3-azidoprop-1-enyl)phenol has a molecular weight of 190.21 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3-azidoprop-1-enyl)phenol is sourced from PubChem (CID 169461517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).