lithium 1-(dimethylamino)-2,2-diphenylethenolate

C16H16LiNO — CID 101054680

IUPAClithium 1-(dimethylamino)-2,2-diphenylethenolate
SMILESCN(C)C([O-])=C(c1ccccc1)c1ccccc1.[Li+]
InChIInChI=1S/C16H17NO.Li/c1-17(2)16(18)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;/h3-12,18H,1-2H3;/q;+1/p-1
InChIKeyCUNXGELOOMRXJO-UHFFFAOYSA-M
MW245.25 g/mol
LogP-0.67
Rot. Bonds3

About lithium 1-(dimethylamino)-2,2-diphenylethenolate

lithium 1-(dimethylamino)-2,2-diphenylethenolate (PubChem CID 101054680) has the molecular formula C16H16LiNO and a molecular weight of 245.25 g/mol. Its IUPAC name is lithium 1-(dimethylamino)-2,2-diphenylethenolate.

Molecular Properties

Compound Namelithium 1-(dimethylamino)-2,2-diphenylethenolate
PubChem CID101054680
Molecular FormulaC16H16LiNO
Molecular Weight245.25 g/mol
Exact Mass245.14
IUPAC Namelithium 1-(dimethylamino)-2,2-diphenylethenolate
SMILESCN(C)C([O-])=C(c1ccccc1)c1ccccc1.[Li+]
InChIInChI=1S/C16H17NO.Li/c1-17(2)16(18)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;/h3-12,18H,1-2H3;/q;+1/p-1
InChIKeyCUNXGELOOMRXJO-UHFFFAOYSA-M
XLogP-0.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 5-0.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

lithium (Z)-1-(dimethylamino)-2-phenylprop-1-en-1-olate
CID 134893339
1-fluoro-N,N-dimethyl-2,2-diphenylethenamine
CID 23105494
dilithium;hydride;1,2,2-triphenylethenylbenzene
CID 173364079
phosphane;1,2,2-triphenylethenylbenzene
CID 157288563
CID 67882804
CID 67882804
2,2-diphenylethene-1,1-diselenol
CID 175146391
(E)-1,2-diphenylethene-1,2-diolate
CID 14292352
2-(dimethylamino)-1-phenylprop-2-ene-1-thione
CID 88692044
ethane;benzoate
CID 161103305
ethane;benzoate
CID 90830280
2-acetamido-3,3-diphenylprop-2-enoic acid
CID 134870656
(E)-3-(dimethylamino)-1-phenylbut-2-en-1-one
CID 11019632

Frequently Asked Questions

What is the IUPAC name of lithium 1-(dimethylamino)-2,2-diphenylethenolate?
The IUPAC name of lithium 1-(dimethylamino)-2,2-diphenylethenolate (CID 101054680) is lithium 1-(dimethylamino)-2,2-diphenylethenolate.
What is the SMILES notation for lithium 1-(dimethylamino)-2,2-diphenylethenolate?
The canonical SMILES for lithium 1-(dimethylamino)-2,2-diphenylethenolate is CN(C)C([O-])=C(c1ccccc1)c1ccccc1.[Li+].
What is the InChIKey of lithium 1-(dimethylamino)-2,2-diphenylethenolate?
The InChIKey is CUNXGELOOMRXJO-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H17NO.Li/c1-17(2)16(18)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14;/h3-12,18H,1-2H3;/q;+1/p-1.
What are the key properties of lithium 1-(dimethylamino)-2,2-diphenylethenolate?
lithium 1-(dimethylamino)-2,2-diphenylethenolate has a molecular weight of 245.25 g/mol, XLogP of -0.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-(dimethylamino)-2,2-diphenylethenolate is sourced from PubChem (CID 101054680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).