lithium 3-[(Z)-3-iminoprop-1-enyl]-2-methylphenolate

C10H10LiNO — CID 172512168

IUPAClithium 3-[(Z)-3-iminoprop-1-enyl]-2-methylphenolate
SMILES[H]/N=C/C=C\c1cccc([O-])c1C.[Li+]
InChIInChI=1S/C10H11NO.Li/c1-8-9(5-3-7-11)4-2-6-10(8)12;/h2-7,11-12H,1H3;/q;+1/p-1/b5-3-,11-7+;
InChIKeyGNEZZSDJRZTRLT-OJJJIXAUSA-M
MW167.14 g/mol
LogP-1.26
Rot. Bonds2

About lithium 3-[(Z)-3-iminoprop-1-enyl]-2-methylphenolate

lithium 3-[(Z)-3-iminoprop-1-enyl]-2-methylphenolate (PubChem CID 172512168) has the molecular formula C10H10LiNO and a molecular weight of 167.14 g/mol. Its IUPAC name is lithium 3-[(Z)-3-iminoprop-1-enyl]-2-methylphenolate.

Molecular Properties

Compound Namelithium 3-[(Z)-3-iminoprop-1-enyl]-2-methylphenolate
PubChem CID172512168
Molecular FormulaC10H10LiNO
Molecular Weight167.14 g/mol
Exact Mass167.09
IUPAC Namelithium 3-[(Z)-3-iminoprop-1-enyl]-2-methylphenolate
SMILES[H]/N=C/C=C\c1cccc([O-])c1C.[Li+]
InChIInChI=1S/C10H11NO.Li/c1-8-9(5-3-7-11)4-2-6-10(8)12;/h2-7,11-12H,1H3;/q;+1/p-1/b5-3-,11-7+;
InChIKeyGNEZZSDJRZTRLT-OJJJIXAUSA-M
XLogP-1.26
TPSA46.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.14
LogP ≤ 5-1.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium 3-[(Z)-3-iminoprop-1-enyl]-2-methylphenolate?
The IUPAC name of lithium 3-[(Z)-3-iminoprop-1-enyl]-2-methylphenolate (CID 172512168) is lithium 3-[(Z)-3-iminoprop-1-enyl]-2-methylphenolate.
What is the SMILES notation for lithium 3-[(Z)-3-iminoprop-1-enyl]-2-methylphenolate?
The canonical SMILES for lithium 3-[(Z)-3-iminoprop-1-enyl]-2-methylphenolate is [H]/N=C/C=C\c1cccc([O-])c1C.[Li+].
What is the InChIKey of lithium 3-[(Z)-3-iminoprop-1-enyl]-2-methylphenolate?
The InChIKey is GNEZZSDJRZTRLT-OJJJIXAUSA-M. The full InChI is InChI=1S/C10H11NO.Li/c1-8-9(5-3-7-11)4-2-6-10(8)12;/h2-7,11-12H,1H3;/q;+1/p-1/b5-3-,11-7+;.
What are the key properties of lithium 3-[(Z)-3-iminoprop-1-enyl]-2-methylphenolate?
lithium 3-[(Z)-3-iminoprop-1-enyl]-2-methylphenolate has a molecular weight of 167.14 g/mol, XLogP of -1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 3-[(Z)-3-iminoprop-1-enyl]-2-methylphenolate is sourced from PubChem (CID 172512168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).