[(1R,2R)-1,2-diazidopropyl]benzene

C9H10N6 — CID 153288330

IUPAC[(1R,2R)-1,2-diazidopropyl]benzene
SMILESC[C@@H](N=[N+]=[N-])[C@H](N=[N+]=[N-])c1ccccc1
InChIInChI=1S/C9H10N6/c1-7(12-14-10)9(13-15-11)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-,9+/m1/s1
InChIKeyRLNDQWFTEVKEFX-APPZFPTMSA-N
MW202.22 g/mol
LogP3.74
Rot. Bonds4

About [(1R,2R)-1,2-diazidopropyl]benzene

[(1R,2R)-1,2-diazidopropyl]benzene (PubChem CID 153288330) has the molecular formula C9H10N6 and a molecular weight of 202.22 g/mol. Its IUPAC name is [(1R,2R)-1,2-diazidopropyl]benzene.

Molecular Properties

Compound Name[(1R,2R)-1,2-diazidopropyl]benzene
PubChem CID153288330
Molecular FormulaC9H10N6
Molecular Weight202.22 g/mol
Exact Mass202.10
IUPAC Name[(1R,2R)-1,2-diazidopropyl]benzene
SMILESC[C@@H](N=[N+]=[N-])[C@H](N=[N+]=[N-])c1ccccc1
InChIInChI=1S/C9H10N6/c1-7(12-14-10)9(13-15-11)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-,9+/m1/s1
InChIKeyRLNDQWFTEVKEFX-APPZFPTMSA-N
XLogP3.74
TPSA97.52 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.22
LogP ≤ 53.74
H-Bond Donors ≤ 50
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

[(2S,3S)-3-azidobutan-2-yl]benzene
CID 131049282
(2R)-1-azido-1-phenylpropan-2-amine
CID 118411737
(1R)-2-azido-1-phenylpropan-1-ol
CID 89372094
(3R)-2-amino-3-azido-3-phenylpropanoic acid
CID 143087453
[azido(fluoro)methyl]benzene
CID 123240072
(1-azido-2-chloroethyl)benzene
CID 13032303
azido(phenyl)methanol
CID 59611949
[(1R)-1,3-diazido-3-phenylpropyl]benzene
CID 173489253
[azido(phenyl)methyl]benzene;molecular hydrogen
CID 167689776
tert-butyl (2R,3S)-3-azido-2-hydroxy-3-phenylpropanoate
CID 10539484
(1,4-diazido-4-phenylbut-2-enyl)benzene
CID 139947200
1-azidoethylbenzene;rutherfordium
CID 164682977

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-1,2-diazidopropyl]benzene?
The IUPAC name of [(1R,2R)-1,2-diazidopropyl]benzene (CID 153288330) is [(1R,2R)-1,2-diazidopropyl]benzene.
What is the SMILES notation for [(1R,2R)-1,2-diazidopropyl]benzene?
The canonical SMILES for [(1R,2R)-1,2-diazidopropyl]benzene is C[C@@H](N=[N+]=[N-])[C@H](N=[N+]=[N-])c1ccccc1.
What is the InChIKey of [(1R,2R)-1,2-diazidopropyl]benzene?
The InChIKey is RLNDQWFTEVKEFX-APPZFPTMSA-N. The full InChI is InChI=1S/C9H10N6/c1-7(12-14-10)9(13-15-11)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-,9+/m1/s1.
What are the key properties of [(1R,2R)-1,2-diazidopropyl]benzene?
[(1R,2R)-1,2-diazidopropyl]benzene has a molecular weight of 202.22 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-1,2-diazidopropyl]benzene is sourced from PubChem (CID 153288330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).