(3-aminobenzoyl)azanium

C7H9N2O+ — CID 142343873

IUPAC(3-aminobenzoyl)azanium
SMILESNc1cccc(C([NH3+])=O)c1
InChIInChI=1S/C7H8N2O/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H2,9,10)/p+1
InChIKeyGSCPDZHWVNUUFI-UHFFFAOYSA-O
MW137.16 g/mol
LogP-0.35
Rot. Bonds1

About (3-aminobenzoyl)azanium

(3-aminobenzoyl)azanium (PubChem CID 142343873) has the molecular formula C7H9N2O+ and a molecular weight of 137.16 g/mol. Its IUPAC name is (3-aminobenzoyl)azanium.

Molecular Properties

Compound Name(3-aminobenzoyl)azanium
PubChem CID142343873
Molecular FormulaC7H9N2O+
Molecular Weight137.16 g/mol
Exact Mass137.07
IUPAC Name(3-aminobenzoyl)azanium
SMILESNc1cccc(C([NH3+])=O)c1
InChIInChI=1S/C7H8N2O/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H2,9,10)/p+1
InChIKeyGSCPDZHWVNUUFI-UHFFFAOYSA-O
XLogP-0.35
TPSA70.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.16
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylic acid
CID 76973010
3-aminobenzoic acid;azane
CID 159954068
1-(3-aminophenyl)-2-phenylethane-1,2-dione
CID 18944432
[3-(3-aminobenzoyl)phenyl]-(3-aminophenyl)methanone;hydrochloride
CID 19019928
(3-aminophenyl)-phenylmethanone
CID 17817
cesium 3-aminobenzoate
CID 134897140
3-[1-(3-aminophenyl)-2,2-diphenylethenyl]aniline
CID 10428749
3-[(E)-2-(3-aminophenyl)-1,2-diphenylethenyl]aniline
CID 101105697
[amino-(3-aminophenyl)methylidene]azanium
CID 6931095
(3-aminophenyl)-(4-aminophenyl)methanone;bis(4-aminophenyl)methanone
CID 160593593
(3-aminophenyl)-(4-aminophenyl)methanone;bis(3-aminophenyl)methanone
CID 69316817
3-(3-aminobenzoyl)benzoic acid
CID 18974175

Frequently Asked Questions

What is the IUPAC name of (3-aminobenzoyl)azanium?
The IUPAC name of (3-aminobenzoyl)azanium (CID 142343873) is (3-aminobenzoyl)azanium.
What is the SMILES notation for (3-aminobenzoyl)azanium?
The canonical SMILES for (3-aminobenzoyl)azanium is Nc1cccc(C([NH3+])=O)c1.
What is the InChIKey of (3-aminobenzoyl)azanium?
The InChIKey is GSCPDZHWVNUUFI-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H8N2O/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,8H2,(H2,9,10)/p+1.
What are the key properties of (3-aminobenzoyl)azanium?
(3-aminobenzoyl)azanium has a molecular weight of 137.16 g/mol, XLogP of -0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminobenzoyl)azanium is sourced from PubChem (CID 142343873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).