2-(3-azidoprop-1-enyl)benzaldehyde

C10H9N3O — CID 169461381

IUPAC2-(3-azidoprop-1-enyl)benzaldehyde
SMILES[N-]=[N+]=NCC=Cc1ccccc1C=O
InChIInChI=1S/C10H9N3O/c11-13-12-7-3-6-9-4-1-2-5-10(9)8-14/h1-6,8H,7H2
InChIKeyDVZIKRYYBOLBTQ-UHFFFAOYSA-N
MW187.20 g/mol
LogP2.82
Rot. Bonds4

About 2-(3-azidoprop-1-enyl)benzaldehyde

2-(3-azidoprop-1-enyl)benzaldehyde (PubChem CID 169461381) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 2-(3-azidoprop-1-enyl)benzaldehyde.

Molecular Properties

Compound Name2-(3-azidoprop-1-enyl)benzaldehyde
PubChem CID169461381
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name2-(3-azidoprop-1-enyl)benzaldehyde
SMILES[N-]=[N+]=NCC=Cc1ccccc1C=O
InChIInChI=1S/C10H9N3O/c11-13-12-7-3-6-9-4-1-2-5-10(9)8-14/h1-6,8H,7H2
InChIKeyDVZIKRYYBOLBTQ-UHFFFAOYSA-N
XLogP2.82
TPSA65.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', '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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Related Compounds

3-(3-azidoprop-1-enyl)-2-bromobenzaldehyde
CID 169462862
2-(3-azidoprop-1-enyl)benzenesulfonyl fluoride
CID 169462001
1-(3-azidoprop-1-enyl)-2-(bromomethyl)benzene
CID 169462718
1-(3-azidoprop-1-enyl)-2-phenylbenzene
CID 150043798
2-(3-azidoprop-1-enyl)benzenesulfonamide
CID 169462115
3-(3-azidoprop-1-enyl)-1H-pyridin-2-one
CID 169461306
6-(3-azidoprop-1-enyl)-1,3-benzodioxole-5-carbaldehyde
CID 169462417
4-(3-azidoprop-1-enyl)naphthalen-1-ol
CID 169462413
3-[2-(3-azidoprop-1-enyl)phenyl]-3-oxopropanenitrile
CID 169462375
5-(3-azidoprop-1-enyl)furan-2-carbaldehyde
CID 169461233
1-(3-azidoprop-1-enyl)-2-phenylmethoxybenzene
CID 151010304
2-(4-azidobut-1-enyl)-5-methylbenzaldehyde
CID 170485179

Frequently Asked Questions

What is the IUPAC name of 2-(3-azidoprop-1-enyl)benzaldehyde?
The IUPAC name of 2-(3-azidoprop-1-enyl)benzaldehyde (CID 169461381) is 2-(3-azidoprop-1-enyl)benzaldehyde.
What is the SMILES notation for 2-(3-azidoprop-1-enyl)benzaldehyde?
The canonical SMILES for 2-(3-azidoprop-1-enyl)benzaldehyde is [N-]=[N+]=NCC=Cc1ccccc1C=O.
What is the InChIKey of 2-(3-azidoprop-1-enyl)benzaldehyde?
The InChIKey is DVZIKRYYBOLBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c11-13-12-7-3-6-9-4-1-2-5-10(9)8-14/h1-6,8H,7H2.
What are the key properties of 2-(3-azidoprop-1-enyl)benzaldehyde?
2-(3-azidoprop-1-enyl)benzaldehyde has a molecular weight of 187.20 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azidoprop-1-enyl)benzaldehyde is sourced from PubChem (CID 169461381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).