4-(3-azidoprop-1-enyl)-2-methoxybenzonitrile

C11H10N4O — CID 169462173

IUPAC4-(3-azidoprop-1-enyl)-2-methoxybenzonitrile
SMILESCOc1cc(C=CCN=[N+]=[N-])ccc1C#N
InChIInChI=1S/C11H10N4O/c1-16-11-7-9(3-2-6-14-15-13)4-5-10(11)8-12/h2-5,7H,6H2,1H3
InChIKeyUVMPWFWPRFRNCH-UHFFFAOYSA-N
MW214.23 g/mol
LogP2.89
Rot. Bonds4

About 4-(3-azidoprop-1-enyl)-2-methoxybenzonitrile

4-(3-azidoprop-1-enyl)-2-methoxybenzonitrile (PubChem CID 169462173) has the molecular formula C11H10N4O and a molecular weight of 214.23 g/mol. Its IUPAC name is 4-(3-azidoprop-1-enyl)-2-methoxybenzonitrile.

Molecular Properties

Compound Name4-(3-azidoprop-1-enyl)-2-methoxybenzonitrile
PubChem CID169462173
Molecular FormulaC11H10N4O
Molecular Weight214.23 g/mol
Exact Mass214.09
IUPAC Name4-(3-azidoprop-1-enyl)-2-methoxybenzonitrile
SMILESCOc1cc(C=CCN=[N+]=[N-])ccc1C#N
InChIInChI=1S/C11H10N4O/c1-16-11-7-9(3-2-6-14-15-13)4-5-10(11)8-12/h2-5,7H,6H2,1H3
InChIKeyUVMPWFWPRFRNCH-UHFFFAOYSA-N
XLogP2.89
TPSA81.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)-2-methoxybenzonitrile 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-fluorobenzonitrile
CID 169461754
4-(3-azidoprop-1-enyl)-2-methoxyaniline
CID 169461847
4-(3-azidoprop-1-enyl)-1-chloro-2-methoxybenzene
CID 169461630
4-(3-bromoprop-1-enyl)-2-methoxybenzonitrile
CID 169475907
4-(3-azidoprop-1-enyl)-2-nitrobenzonitrile
CID 169462311
4-(4-hydroxybut-1-enyl)-2-methoxybenzonitrile
CID 170477013
4-(4-bromobut-1-enyl)-2-methoxybenzonitrile
CID 170497897
4-(3-azidoprop-1-enyl)-3-methoxybenzonitrile
CID 169462928
2-[5-(3-azidoprop-1-enyl)-2-methoxyphenyl]acetic acid
CID 169462549
4-(3-azidoprop-1-enyl)-1,2-dimethylbenzene
CID 150434648
[4-(3-azidoprop-1-enyl)-2,6-dimethoxyphenyl] acetate
CID 169462842
2-[5-(3-azidoprop-1-enyl)-2-fluorophenyl]acetonitrile
CID 169462095

Frequently Asked Questions

What is the IUPAC name of 4-(3-azidoprop-1-enyl)-2-methoxybenzonitrile?
The IUPAC name of 4-(3-azidoprop-1-enyl)-2-methoxybenzonitrile (CID 169462173) is 4-(3-azidoprop-1-enyl)-2-methoxybenzonitrile.
What is the SMILES notation for 4-(3-azidoprop-1-enyl)-2-methoxybenzonitrile?
The canonical SMILES for 4-(3-azidoprop-1-enyl)-2-methoxybenzonitrile is COc1cc(C=CCN=[N+]=[N-])ccc1C#N.
What is the InChIKey of 4-(3-azidoprop-1-enyl)-2-methoxybenzonitrile?
The InChIKey is UVMPWFWPRFRNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O/c1-16-11-7-9(3-2-6-14-15-13)4-5-10(11)8-12/h2-5,7H,6H2,1H3.
What are the key properties of 4-(3-azidoprop-1-enyl)-2-methoxybenzonitrile?
4-(3-azidoprop-1-enyl)-2-methoxybenzonitrile has a molecular weight of 214.23 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-azidoprop-1-enyl)-2-methoxybenzonitrile is sourced from PubChem (CID 169462173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).