(N-diazonio-C-ethylcarbonimidoyl)benzene

C9H10N3+ — CID 134845103

IUPAC(N-diazonio-C-ethylcarbonimidoyl)benzene
SMILESCCC(=N[N+]#N)c1ccccc1
InChIInChI=1S/C9H10N3/c1-2-9(11-12-10)8-6-4-3-5-7-8/h3-7H,2H2,1H3/q+1
InChIKeyQWBRUZRJUQNLCR-UHFFFAOYSA-N
MW160.20 g/mol
LogP2.65
Rot. Bonds2

About (N-diazonio-C-ethylcarbonimidoyl)benzene

(N-diazonio-C-ethylcarbonimidoyl)benzene (PubChem CID 134845103) has the molecular formula C9H10N3+ and a molecular weight of 160.20 g/mol. Its IUPAC name is (N-diazonio-C-ethylcarbonimidoyl)benzene.

Molecular Properties

Compound Name(N-diazonio-C-ethylcarbonimidoyl)benzene
PubChem CID134845103
Molecular FormulaC9H10N3+
Molecular Weight160.20 g/mol
Exact Mass160.09
IUPAC Name(N-diazonio-C-ethylcarbonimidoyl)benzene
SMILESCCC(=N[N+]#N)c1ccccc1
InChIInChI=1S/C9H10N3/c1-2-9(11-12-10)8-6-4-3-5-7-8/h3-7H,2H2,1H3/q+1
InChIKeyQWBRUZRJUQNLCR-UHFFFAOYSA-N
XLogP2.65
TPSA40.51 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.20
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-tert-butyl-1-phenylpropan-1-imine
CID 12694730
1-(1-phenylpropylideneamino)ethanol
CID 174080576
(Z)-N-dipropylboranyl-1-phenylpropan-1-imine
CID 127258245
1-phenyl-N-[(propan-2-ylidene-λ4-sulfanylidene)methyl]propan-1-imine
CID 155262105
N-[(E)-1-phenylpropylideneamino]prop-2-en-1-amine
CID 122659216
2-phenyl-N-(1-phenylpropylideneamino)acetamide
CID 689855
ethyl [(E)-1-phenylpropylideneamino] carbonate
CID 134874580
4-methyl-N-[(E)-1-phenylpropylideneamino]benzenesulfonamide
CID 6374388
N-(1-phenylpropylideneamino)pentanamide
CID 4996868
(E)-N-(2,2-diethoxyethoxy)-1-phenylpropan-1-imine
CID 10706817
2-methyl-N-[(Z)-1-phenylpropylideneamino]benzamide
CID 5391962
ethane;propan-2-yl (NZ)-N-(1-phenylpropylidene)carbamate
CID 142227813

Frequently Asked Questions

What is the IUPAC name of (N-diazonio-C-ethylcarbonimidoyl)benzene?
The IUPAC name of (N-diazonio-C-ethylcarbonimidoyl)benzene (CID 134845103) is (N-diazonio-C-ethylcarbonimidoyl)benzene.
What is the SMILES notation for (N-diazonio-C-ethylcarbonimidoyl)benzene?
The canonical SMILES for (N-diazonio-C-ethylcarbonimidoyl)benzene is CCC(=N[N+]#N)c1ccccc1.
What is the InChIKey of (N-diazonio-C-ethylcarbonimidoyl)benzene?
The InChIKey is QWBRUZRJUQNLCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N3/c1-2-9(11-12-10)8-6-4-3-5-7-8/h3-7H,2H2,1H3/q+1.
What are the key properties of (N-diazonio-C-ethylcarbonimidoyl)benzene?
(N-diazonio-C-ethylcarbonimidoyl)benzene has a molecular weight of 160.20 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (N-diazonio-C-ethylcarbonimidoyl)benzene is sourced from PubChem (CID 134845103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).