N-(2-azidoprop-2-enyl)aniline

C9H10N4 — CID 141405457

IUPACN-(2-azidoprop-2-enyl)aniline
SMILESC=C(CNc1ccccc1)N=[N+]=[N-]
InChIInChI=1S/C9H10N4/c1-8(12-13-10)7-11-9-5-3-2-4-6-9/h2-6,11H,1,7H2
InChIKeyXWVYWZIMLQRQDQ-UHFFFAOYSA-N
MW174.21 g/mol
LogP2.92
Rot. Bonds4

About N-(2-azidoprop-2-enyl)aniline

N-(2-azidoprop-2-enyl)aniline (PubChem CID 141405457) has the molecular formula C9H10N4 and a molecular weight of 174.21 g/mol. Its IUPAC name is N-(2-azidoprop-2-enyl)aniline.

Molecular Properties

Compound NameN-(2-azidoprop-2-enyl)aniline
PubChem CID141405457
Molecular FormulaC9H10N4
Molecular Weight174.21 g/mol
Exact Mass174.09
IUPAC NameN-(2-azidoprop-2-enyl)aniline
SMILESC=C(CNc1ccccc1)N=[N+]=[N-]
InChIInChI=1S/C9H10N4/c1-8(12-13-10)7-11-9-5-3-2-4-6-9/h2-6,11H,1,7H2
InChIKeyXWVYWZIMLQRQDQ-UHFFFAOYSA-N
XLogP2.92
TPSA60.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.21
LogP ≤ 52.92
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'}

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Related Compounds

N-(2-methylprop-2-enyl)aniline;hydrochloride
CID 86147547
N-(2-bromoprop-2-enyl)aniline;hydrochloride
CID 45127902
N-[2-[[(Z)-but-2-enylidene]amino]prop-2-enyl]aniline
CID 118971104
(1E,2E)-N,N'-dianilinoethanediimidoyl diazide
CID 11056298
N-(2-nitroprop-2-enyl)aniline
CID 68795117
2-anilinoacetic acid;hydrazine
CID 67393863
1-N,1-N'-diphenylethene-1,1-diamine
CID 18406310
N-(2-bromoprop-2-enyl)-4-phenylaniline
CID 62253872
2-anilino-1-[4-(2-anilinoacetyl)phenyl]ethanone
CID 2749284
bis(2-anilinoacetate);cadmium(2+)
CID 88771971
potassium;sodium;2-anilinoacetic acid;hydride
CID 174390322
1-anilino-3-phenyliminopropan-2-one
CID 91514500

Frequently Asked Questions

What is the IUPAC name of N-(2-azidoprop-2-enyl)aniline?
The IUPAC name of N-(2-azidoprop-2-enyl)aniline (CID 141405457) is N-(2-azidoprop-2-enyl)aniline.
What is the SMILES notation for N-(2-azidoprop-2-enyl)aniline?
The canonical SMILES for N-(2-azidoprop-2-enyl)aniline is C=C(CNc1ccccc1)N=[N+]=[N-].
What is the InChIKey of N-(2-azidoprop-2-enyl)aniline?
The InChIKey is XWVYWZIMLQRQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4/c1-8(12-13-10)7-11-9-5-3-2-4-6-9/h2-6,11H,1,7H2.
What are the key properties of N-(2-azidoprop-2-enyl)aniline?
N-(2-azidoprop-2-enyl)aniline has a molecular weight of 174.21 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azidoprop-2-enyl)aniline is sourced from PubChem (CID 141405457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).