5-diazo-1H-naphthalene

C10H8N2 — CID 19980090

IUPAC5-diazo-1H-naphthalene
SMILES[N-]=[N+]=C1C=CC=C2CC=CC=C21
InChIInChI=1S/C10H8N2/c11-12-10-7-3-5-8-4-1-2-6-9(8)10/h1-3,5-7H,4H2
InChIKeyVPADNUDGUIYEEX-UHFFFAOYSA-N
MW156.19 g/mol
LogP2.04
Rot. Bonds

About 5-diazo-1H-naphthalene

5-diazo-1H-naphthalene (PubChem CID 19980090) has the molecular formula C10H8N2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 5-diazo-1H-naphthalene.

Molecular Properties

Compound Name5-diazo-1H-naphthalene
PubChem CID19980090
Molecular FormulaC10H8N2
Molecular Weight156.19 g/mol
Exact Mass156.07
IUPAC Name5-diazo-1H-naphthalene
SMILES[N-]=[N+]=C1C=CC=C2CC=CC=C21
InChIInChI=1S/C10H8N2/c11-12-10-7-3-5-8-4-1-2-6-9(8)10/h1-3,5-7H,4H2
InChIKeyVPADNUDGUIYEEX-UHFFFAOYSA-N
XLogP2.04
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 52.04
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 5-diazo-1H-naphthalene?
The IUPAC name of 5-diazo-1H-naphthalene (CID 19980090) is 5-diazo-1H-naphthalene.
What is the SMILES notation for 5-diazo-1H-naphthalene?
The canonical SMILES for 5-diazo-1H-naphthalene is [N-]=[N+]=C1C=CC=C2CC=CC=C21.
What is the InChIKey of 5-diazo-1H-naphthalene?
The InChIKey is VPADNUDGUIYEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2/c11-12-10-7-3-5-8-4-1-2-6-9(8)10/h1-3,5-7H,4H2.
What are the key properties of 5-diazo-1H-naphthalene?
5-diazo-1H-naphthalene has a molecular weight of 156.19 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-diazo-1H-naphthalene is sourced from PubChem (CID 19980090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).