1-(2-azidopropyl)-4-nitrosobenzene

C9H10N4O — CID 173493901

IUPAC1-(2-azidopropyl)-4-nitrosobenzene
SMILESCC(Cc1ccc(N=O)cc1)N=[N+]=[N-]
InChIInChI=1S/C9H10N4O/c1-7(11-13-10)6-8-2-4-9(12-14)5-3-8/h2-5,7H,6H2,1H3
InChIKeyTWBXOKWYFDBAMQ-UHFFFAOYSA-N
MW190.21 g/mol
LogP3.33
Rot. Bonds4

About 1-(2-azidopropyl)-4-nitrosobenzene

1-(2-azidopropyl)-4-nitrosobenzene (PubChem CID 173493901) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 1-(2-azidopropyl)-4-nitrosobenzene.

Molecular Properties

Compound Name1-(2-azidopropyl)-4-nitrosobenzene
PubChem CID173493901
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name1-(2-azidopropyl)-4-nitrosobenzene
SMILESCC(Cc1ccc(N=O)cc1)N=[N+]=[N-]
InChIInChI=1S/C9H10N4O/c1-7(11-13-10)6-8-2-4-9(12-14)5-3-8/h2-5,7H,6H2,1H3
InChIKeyTWBXOKWYFDBAMQ-UHFFFAOYSA-N
XLogP3.33
TPSA78.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 53.33
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'}

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Related Compounds

1-(2-azidopropyl)-4-tert-butylbenzene
CID 122211561
1-chloro-4-(2-nitrosopropyl)benzene
CID 134994118
1-[(2S)-1-azidopropan-2-yl]-4-nitrosobenzene
CID 173493897
3-methyl-4-(4-nitrosophenyl)butanoic acid
CID 141439546
1-[(1R)-1-azidoethyl]-4-(2-methylpropyl)benzene
CID 104853515
1-[(2R)-2-azidopropyl]-2-methylbenzene
CID 154709566
1-nitroso-4-[(4-nitrosophenyl)methyl]benzene
CID 20588651
(2S)-2-(methylamino)-3-(4-nitrosophenyl)propanoic acid
CID 87160130
3-azidobutylbenzene
CID 11805255
3,3-dimethyl-4-(4-nitrosophenyl)butan-2-ol
CID 91542260
(3R)-3-azido-4-(4-chlorophenyl)butanoic acid
CID 154996934
1-(2-azidopropyl)-3,4-difluoro-2-methylbenzene
CID 71270055

Frequently Asked Questions

What is the IUPAC name of 1-(2-azidopropyl)-4-nitrosobenzene?
The IUPAC name of 1-(2-azidopropyl)-4-nitrosobenzene (CID 173493901) is 1-(2-azidopropyl)-4-nitrosobenzene.
What is the SMILES notation for 1-(2-azidopropyl)-4-nitrosobenzene?
The canonical SMILES for 1-(2-azidopropyl)-4-nitrosobenzene is CC(Cc1ccc(N=O)cc1)N=[N+]=[N-].
What is the InChIKey of 1-(2-azidopropyl)-4-nitrosobenzene?
The InChIKey is TWBXOKWYFDBAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-7(11-13-10)6-8-2-4-9(12-14)5-3-8/h2-5,7H,6H2,1H3.
What are the key properties of 1-(2-azidopropyl)-4-nitrosobenzene?
1-(2-azidopropyl)-4-nitrosobenzene has a molecular weight of 190.21 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-azidopropyl)-4-nitrosobenzene is sourced from PubChem (CID 173493901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).