2-(benzylamino)-2-oxoethanediazonium

C9H10N3O+ — CID 89061695

IUPAC2-(benzylamino)-2-oxoethanediazonium
SMILESN#[N+]CC(=O)NCc1ccccc1
InChIInChI=1S/C9H9N3O/c10-12-7-9(13)11-6-8-4-2-1-3-5-8/h1-5H,6-7H2/p+1
InChIKeyDGLSHEGXDWUTSQ-UHFFFAOYSA-O
MW176.20 g/mol
LogP1.16
Rot. Bonds3

About 2-(benzylamino)-2-oxoethanediazonium

2-(benzylamino)-2-oxoethanediazonium (PubChem CID 89061695) has the molecular formula C9H10N3O+ and a molecular weight of 176.20 g/mol. Its IUPAC name is 2-(benzylamino)-2-oxoethanediazonium.

Molecular Properties

Compound Name2-(benzylamino)-2-oxoethanediazonium
PubChem CID89061695
Molecular FormulaC9H10N3O+
Molecular Weight176.20 g/mol
Exact Mass176.08
IUPAC Name2-(benzylamino)-2-oxoethanediazonium
SMILESN#[N+]CC(=O)NCc1ccccc1
InChIInChI=1S/C9H9N3O/c10-12-7-9(13)11-6-8-4-2-1-3-5-8/h1-5H,6-7H2/p+1
InChIKeyDGLSHEGXDWUTSQ-UHFFFAOYSA-O
XLogP1.16
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.20
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-isocyanoacetamide;ethane
CID 91010012
N-benzyl-2-isocyanoacetamide;2-isocyanoacetic acid
CID 162136507
N-benzyl-2-[2-(benzylamino)-2-oxoethoxy]acetamide
CID 2322352
N-benzyl-3-chloropropanamide
CID 10391
N-benzyl-2-hydrazinylacetamide
CID 15514349
sodium;N-benzyl-2-cyanoacetamide;hydride
CID 173433462
N-benzyl-3-oxopentanamide
CID 10632061
6-(benzylamino)-6-oxohexanoic acid
CID 43529432
N'-benzylbutanediamide
CID 4682951
2-[[[2-(benzylamino)-2-oxoethyl]amino]methyl]prop-2-enoic acid
CID 103240670
N-benzyl-4-[2-[4-[[[4-(benzylamino)-4-oxobutanoyl]amino]carbamoyl]benzoyl]hydrazinyl]-4-oxobutanamide
CID 3359263
N-benzyl-2-(2-methylprop-2-enylamino)acetamide
CID 62331341

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-2-oxoethanediazonium?
The IUPAC name of 2-(benzylamino)-2-oxoethanediazonium (CID 89061695) is 2-(benzylamino)-2-oxoethanediazonium.
What is the SMILES notation for 2-(benzylamino)-2-oxoethanediazonium?
The canonical SMILES for 2-(benzylamino)-2-oxoethanediazonium is N#[N+]CC(=O)NCc1ccccc1.
What is the InChIKey of 2-(benzylamino)-2-oxoethanediazonium?
The InChIKey is DGLSHEGXDWUTSQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H9N3O/c10-12-7-9(13)11-6-8-4-2-1-3-5-8/h1-5H,6-7H2/p+1.
What are the key properties of 2-(benzylamino)-2-oxoethanediazonium?
2-(benzylamino)-2-oxoethanediazonium has a molecular weight of 176.20 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-2-oxoethanediazonium is sourced from PubChem (CID 89061695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).