1-[(2S)-1-azidopropan-2-yl]-4-nitrosobenzene

C9H10N4O — CID 173493897

IUPAC1-[(2S)-1-azidopropan-2-yl]-4-nitrosobenzene
SMILESC[C@H](CN=[N+]=[N-])c1ccc(N=O)cc1
InChIInChI=1S/C9H10N4O/c1-7(6-11-13-10)8-2-4-9(12-14)5-3-8/h2-5,7H,6H2,1H3/t7-/m1/s1
InChIKeyLOJOISAIGCPQOT-SSDOTTSWSA-N
MW190.21 g/mol
LogP3.50
Rot. Bonds4

About 1-[(2S)-1-azidopropan-2-yl]-4-nitrosobenzene

1-[(2S)-1-azidopropan-2-yl]-4-nitrosobenzene (PubChem CID 173493897) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 1-[(2S)-1-azidopropan-2-yl]-4-nitrosobenzene.

Molecular Properties

Compound Name1-[(2S)-1-azidopropan-2-yl]-4-nitrosobenzene
PubChem CID173493897
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name1-[(2S)-1-azidopropan-2-yl]-4-nitrosobenzene
SMILESC[C@H](CN=[N+]=[N-])c1ccc(N=O)cc1
InChIInChI=1S/C9H10N4O/c1-7(6-11-13-10)8-2-4-9(12-14)5-3-8/h2-5,7H,6H2,1H3/t7-/m1/s1
InChIKeyLOJOISAIGCPQOT-SSDOTTSWSA-N
XLogP3.50
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 ≤ 53.50
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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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-azidopropan-2-yl]-4-nitrosobenzene?
The IUPAC name of 1-[(2S)-1-azidopropan-2-yl]-4-nitrosobenzene (CID 173493897) is 1-[(2S)-1-azidopropan-2-yl]-4-nitrosobenzene.
What is the SMILES notation for 1-[(2S)-1-azidopropan-2-yl]-4-nitrosobenzene?
The canonical SMILES for 1-[(2S)-1-azidopropan-2-yl]-4-nitrosobenzene is C[C@H](CN=[N+]=[N-])c1ccc(N=O)cc1.
What is the InChIKey of 1-[(2S)-1-azidopropan-2-yl]-4-nitrosobenzene?
The InChIKey is LOJOISAIGCPQOT-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H10N4O/c1-7(6-11-13-10)8-2-4-9(12-14)5-3-8/h2-5,7H,6H2,1H3/t7-/m1/s1.
What are the key properties of 1-[(2S)-1-azidopropan-2-yl]-4-nitrosobenzene?
1-[(2S)-1-azidopropan-2-yl]-4-nitrosobenzene has a molecular weight of 190.21 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-azidopropan-2-yl]-4-nitrosobenzene is sourced from PubChem (CID 173493897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).