[naphthalen-1-yl(nitro)amino] nitrite

C10H7N3O4 — CID 57299923

IUPAC[naphthalen-1-yl(nitro)amino] nitrite
SMILESO=NON(c1cccc2ccccc12)[N+](=O)[O-]
InChIInChI=1S/C10H7N3O4/c14-11-17-12(13(15)16)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChIKeyOBZUFJOZZQIHAC-UHFFFAOYSA-N
MW233.18 g/mol
LogP2.45
Rot. Bonds4

About [naphthalen-1-yl(nitro)amino] nitrite

[naphthalen-1-yl(nitro)amino] nitrite (PubChem CID 57299923) has the molecular formula C10H7N3O4 and a molecular weight of 233.18 g/mol. Its IUPAC name is [naphthalen-1-yl(nitro)amino] nitrite.

Molecular Properties

Compound Name[naphthalen-1-yl(nitro)amino] nitrite
PubChem CID57299923
Molecular FormulaC10H7N3O4
Molecular Weight233.18 g/mol
Exact Mass233.04
IUPAC Name[naphthalen-1-yl(nitro)amino] nitrite
SMILESO=NON(c1cccc2ccccc12)[N+](=O)[O-]
InChIInChI=1S/C10H7N3O4/c14-11-17-12(13(15)16)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChIKeyOBZUFJOZZQIHAC-UHFFFAOYSA-N
XLogP2.45
TPSA85.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.18
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [naphthalen-1-yl(nitro)amino] nitrite?
The IUPAC name of [naphthalen-1-yl(nitro)amino] nitrite (CID 57299923) is [naphthalen-1-yl(nitro)amino] nitrite.
What is the SMILES notation for [naphthalen-1-yl(nitro)amino] nitrite?
The canonical SMILES for [naphthalen-1-yl(nitro)amino] nitrite is O=NON(c1cccc2ccccc12)[N+](=O)[O-].
What is the InChIKey of [naphthalen-1-yl(nitro)amino] nitrite?
The InChIKey is OBZUFJOZZQIHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O4/c14-11-17-12(13(15)16)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H.
What are the key properties of [naphthalen-1-yl(nitro)amino] nitrite?
[naphthalen-1-yl(nitro)amino] nitrite has a molecular weight of 233.18 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [naphthalen-1-yl(nitro)amino] nitrite is sourced from PubChem (CID 57299923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).