N'-(2-cyano-4-nitrobenzene-3-id-1-yl)-N,N-dimethylmethanimidamide;yttrium

C10H9N4O2Y- — CID 169028844

IUPACN'-(2-cyano-4-nitrobenzene-3-id-1-yl)-N,N-dimethylmethanimidamide;yttrium
SMILESCN(C)/C=N/c1ccc([N+](=O)[O-])[c-]c1C#N.[Y]
InChIInChI=1S/C10H9N4O2.Y/c1-13(2)7-12-10-4-3-9(14(15)16)5-8(10)6-11;/h3-4,7H,1-2H3;/q-1;/b12-7+;
InChIKeyAFHGJIHNOGFGKC-RRAJOLSVSA-N
MW306.11 g/mol
LogP1.49
Rot. Bonds3

About N'-(2-cyano-4-nitrobenzene-3-id-1-yl)-N,N-dimethylmethanimidamide;yttrium

N'-(2-cyano-4-nitrobenzene-3-id-1-yl)-N,N-dimethylmethanimidamide;yttrium (PubChem CID 169028844) has the molecular formula C10H9N4O2Y- and a molecular weight of 306.11 g/mol. Its IUPAC name is N'-(2-cyano-4-nitrobenzene-3-id-1-yl)-N,N-dimethylmethanimidamide;yttrium.

Molecular Properties

Compound NameN'-(2-cyano-4-nitrobenzene-3-id-1-yl)-N,N-dimethylmethanimidamide;yttrium
PubChem CID169028844
Molecular FormulaC10H9N4O2Y-
Molecular Weight306.11 g/mol
Exact Mass305.98
IUPAC NameN'-(2-cyano-4-nitrobenzene-3-id-1-yl)-N,N-dimethylmethanimidamide;yttrium
SMILESCN(C)/C=N/c1ccc([N+](=O)[O-])[c-]c1C#N.[Y]
InChIInChI=1S/C10H9N4O2.Y/c1-13(2)7-12-10-4-3-9(14(15)16)5-8(10)6-11;/h3-4,7H,1-2H3;/q-1;/b12-7+;
InChIKeyAFHGJIHNOGFGKC-RRAJOLSVSA-N
XLogP1.49
TPSA82.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.11
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-(2-cyano-5-fluoro-4-nitrophenyl)-N,N-dimethylmethanimidamide
CID 118900243
N'-(2-cyano-4-methylphenyl)-N,N-dimethylmethanimidamide
CID 11446788
N'-(2-cyano-4-iodophenyl)-N,N-dimethylmethanimidamide
CID 53375374
N'-(6-chloro-2-cyano-3-pyridinyl)-N,N-dimethylmethanimidamide
CID 156505096
4-[(2-methyl-5-nitrophenyl)iminomethyl]benzonitrile
CID 622181
4-nitrobenzene-5-ide-1-carbonitrile;yttrium
CID 58095472
N'-[4-(3-amino-2-sulfanylidenepropyl)-2-cyanophenyl]-N,N-dimethylmethanimidamide
CID 58140144
1-[3-cyano-4-(dimethylaminomethylideneamino)phenyl]-3-(methylamino)urea
CID 143466051
N'-(2-chloro-4-fluorophenyl)-N-(dimethylaminomethylidene)-4-nitrobenzenecarboximidamide
CID 126530790
N-(2-methyl-5-nitrophenyl)ethanimine
CID 52920639
N'-(4-hydroxy-2-methylphenyl)-N,N-dimethylmethanimidamide
CID 12906259
2-(2-methyl-5-nitrophenyl)guanidine
CID 11528992

Frequently Asked Questions

What is the IUPAC name of N'-(2-cyano-4-nitrobenzene-3-id-1-yl)-N,N-dimethylmethanimidamide;yttrium?
The IUPAC name of N'-(2-cyano-4-nitrobenzene-3-id-1-yl)-N,N-dimethylmethanimidamide;yttrium (CID 169028844) is N'-(2-cyano-4-nitrobenzene-3-id-1-yl)-N,N-dimethylmethanimidamide;yttrium.
What is the SMILES notation for N'-(2-cyano-4-nitrobenzene-3-id-1-yl)-N,N-dimethylmethanimidamide;yttrium?
The canonical SMILES for N'-(2-cyano-4-nitrobenzene-3-id-1-yl)-N,N-dimethylmethanimidamide;yttrium is CN(C)/C=N/c1ccc([N+](=O)[O-])[c-]c1C#N.[Y].
What is the InChIKey of N'-(2-cyano-4-nitrobenzene-3-id-1-yl)-N,N-dimethylmethanimidamide;yttrium?
The InChIKey is AFHGJIHNOGFGKC-RRAJOLSVSA-N. The full InChI is InChI=1S/C10H9N4O2.Y/c1-13(2)7-12-10-4-3-9(14(15)16)5-8(10)6-11;/h3-4,7H,1-2H3;/q-1;/b12-7+;.
What are the key properties of N'-(2-cyano-4-nitrobenzene-3-id-1-yl)-N,N-dimethylmethanimidamide;yttrium?
N'-(2-cyano-4-nitrobenzene-3-id-1-yl)-N,N-dimethylmethanimidamide;yttrium has a molecular weight of 306.11 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-cyano-4-nitrobenzene-3-id-1-yl)-N,N-dimethylmethanimidamide;yttrium is sourced from PubChem (CID 169028844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).