lithium [(E)-2-cyano-1-phenylethenyl]azanide

C9H7LiN2 — CID 101430283

IUPAClithium [(E)-2-cyano-1-phenylethenyl]azanide
SMILESN#C/C=C(/[NH-])c1ccccc1.[Li+]
InChIInChI=1S/C9H7N2.Li/c10-7-6-9(11)8-4-2-1-3-5-8;/h1-6,11H;/q-1;+1/b9-6+;
InChIKeyIIIKZWNCMPFVMT-MLBSPLJJSA-N
MW150.11 g/mol
LogP-0.39
Rot. Bonds1

About lithium [(E)-2-cyano-1-phenylethenyl]azanide

lithium [(E)-2-cyano-1-phenylethenyl]azanide (PubChem CID 101430283) has the molecular formula C9H7LiN2 and a molecular weight of 150.11 g/mol. Its IUPAC name is lithium [(E)-2-cyano-1-phenylethenyl]azanide.

Molecular Properties

Compound Namelithium [(E)-2-cyano-1-phenylethenyl]azanide
PubChem CID101430283
Molecular FormulaC9H7LiN2
Molecular Weight150.11 g/mol
Exact Mass150.08
IUPAC Namelithium [(E)-2-cyano-1-phenylethenyl]azanide
SMILESN#C/C=C(/[NH-])c1ccccc1.[Li+]
InChIInChI=1S/C9H7N2.Li/c10-7-6-9(11)8-4-2-1-3-5-8;/h1-6,11H;/q-1;+1/b9-6+;
InChIKeyIIIKZWNCMPFVMT-MLBSPLJJSA-N
XLogP-0.39
TPSA47.59 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.11
LogP ≤ 5-0.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

benzene;3,3-diphenylprop-2-enenitrile
CID 174934225
(Z)-3-cyano-2-phenylprop-2-enoic acid
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(E)-3-[(E)-2-cyano-1-phenylethenyl]tellanyl-3-phenylprop-2-enenitrile
CID 13159605
actinium;1-phenylprop-1-enylazanide
CID 157123546
(E)-4-methoxy-3-phenylbut-2-enenitrile
CID 103465888
(Z)-4-methyl-3-phenylpent-2-enenitrile
CID 23262622
(E)-4-methyl-3-phenylpent-2-enenitrile
CID 13354635
bromo(trifluoro)methane;3,3-diphenylprop-2-enenitrile
CID 174367597
3-phenyl-3-pyridin-3-ylprop-2-enenitrile
CID 66602387
[(E)-3-cyano-2-phenylprop-1-enyl]-trimethylazanium iodide
CID 14174215
(E)-3-phenoxy-3-phenylprop-2-enenitrile
CID 66560639
(E)-3-phenyl-3-pyrrolidin-1-ylprop-2-enenitrile
CID 10655579

Frequently Asked Questions

What is the IUPAC name of lithium [(E)-2-cyano-1-phenylethenyl]azanide?
The IUPAC name of lithium [(E)-2-cyano-1-phenylethenyl]azanide (CID 101430283) is lithium [(E)-2-cyano-1-phenylethenyl]azanide.
What is the SMILES notation for lithium [(E)-2-cyano-1-phenylethenyl]azanide?
The canonical SMILES for lithium [(E)-2-cyano-1-phenylethenyl]azanide is N#C/C=C(/[NH-])c1ccccc1.[Li+].
What is the InChIKey of lithium [(E)-2-cyano-1-phenylethenyl]azanide?
The InChIKey is IIIKZWNCMPFVMT-MLBSPLJJSA-N. The full InChI is InChI=1S/C9H7N2.Li/c10-7-6-9(11)8-4-2-1-3-5-8;/h1-6,11H;/q-1;+1/b9-6+;.
What are the key properties of lithium [(E)-2-cyano-1-phenylethenyl]azanide?
lithium [(E)-2-cyano-1-phenylethenyl]azanide has a molecular weight of 150.11 g/mol, XLogP of -0.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [(E)-2-cyano-1-phenylethenyl]azanide is sourced from PubChem (CID 101430283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).