1-diazopropylbenzene

C9H10N2 — CID 637813

IUPAC1-diazopropylbenzene
SMILESCCC(=[N+]=[N-])c1ccccc1
InChIInChI=1S/C9H10N2/c1-2-9(11-10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyLJTFEHMRMWNEIF-UHFFFAOYSA-N
MW146.19 g/mol
LogP2.12
Rot. Bonds2

About 1-diazopropylbenzene

1-diazopropylbenzene (PubChem CID 637813) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 1-diazopropylbenzene.

Molecular Properties

Compound Name1-diazopropylbenzene
PubChem CID637813
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name1-diazopropylbenzene
SMILESCCC(=[N+]=[N-])c1ccccc1
InChIInChI=1S/C9H10N2/c1-2-9(11-10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyLJTFEHMRMWNEIF-UHFFFAOYSA-N
XLogP2.12
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', '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-diazopropylbenzene?
The IUPAC name of 1-diazopropylbenzene (CID 637813) is 1-diazopropylbenzene.
What is the SMILES notation for 1-diazopropylbenzene?
The canonical SMILES for 1-diazopropylbenzene is CCC(=[N+]=[N-])c1ccccc1.
What is the InChIKey of 1-diazopropylbenzene?
The InChIKey is LJTFEHMRMWNEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-2-9(11-10)8-6-4-3-5-7-8/h3-7H,2H2,1H3.
What are the key properties of 1-diazopropylbenzene?
1-diazopropylbenzene has a molecular weight of 146.19 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diazopropylbenzene is sourced from PubChem (CID 637813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).