(3-amino-4-oxonaphthalen-1-ylidene)azanium

C10H9N2O+ — CID 4868259

IUPAC(3-amino-4-oxonaphthalen-1-ylidene)azanium
SMILESNC1=CC(=[NH2+])c2ccccc2C1=O
InChIInChI=1S/C10H8N2O/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,11H,12H2/p+1
InChIKeyQDPCYPPJLOKHQK-UHFFFAOYSA-O
MW173.19 g/mol
LogP-0.73
Rot. Bonds

About (3-amino-4-oxonaphthalen-1-ylidene)azanium

(3-amino-4-oxonaphthalen-1-ylidene)azanium (PubChem CID 4868259) has the molecular formula C10H9N2O+ and a molecular weight of 173.19 g/mol. Its IUPAC name is (3-amino-4-oxonaphthalen-1-ylidene)azanium.

Molecular Properties

Compound Name(3-amino-4-oxonaphthalen-1-ylidene)azanium
PubChem CID4868259
Molecular FormulaC10H9N2O+
Molecular Weight173.19 g/mol
Exact Mass173.07
IUPAC Name(3-amino-4-oxonaphthalen-1-ylidene)azanium
SMILESNC1=CC(=[NH2+])c2ccccc2C1=O
InChIInChI=1S/C10H8N2O/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,11H,12H2/p+1
InChIKeyQDPCYPPJLOKHQK-UHFFFAOYSA-O
XLogP-0.73
TPSA68.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.19
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-amino-4-oxonaphthalen-1-ylidene)azanium?
The IUPAC name of (3-amino-4-oxonaphthalen-1-ylidene)azanium (CID 4868259) is (3-amino-4-oxonaphthalen-1-ylidene)azanium.
What is the SMILES notation for (3-amino-4-oxonaphthalen-1-ylidene)azanium?
The canonical SMILES for (3-amino-4-oxonaphthalen-1-ylidene)azanium is NC1=CC(=[NH2+])c2ccccc2C1=O.
What is the InChIKey of (3-amino-4-oxonaphthalen-1-ylidene)azanium?
The InChIKey is QDPCYPPJLOKHQK-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H8N2O/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,11H,12H2/p+1.
What are the key properties of (3-amino-4-oxonaphthalen-1-ylidene)azanium?
(3-amino-4-oxonaphthalen-1-ylidene)azanium has a molecular weight of 173.19 g/mol, XLogP of -0.73, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-oxonaphthalen-1-ylidene)azanium is sourced from PubChem (CID 4868259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).