lithium (Z)-1-(dimethylamino)-2-phenylprop-1-en-1-olate

C11H14LiNO — CID 134893339

IUPAClithium (Z)-1-(dimethylamino)-2-phenylprop-1-en-1-olate
SMILESC/C(=C(/[O-])N(C)C)c1ccccc1.[Li+]
InChIInChI=1S/C11H15NO.Li/c1-9(11(13)12(2)3)10-7-5-4-6-8-10;/h4-8,13H,1-3H3;/q;+1/p-1/b11-9-;
InChIKeyQFJWLVZSDGJMGZ-KSIDEHCFSA-M
MW183.18 g/mol
LogP-1.70
Rot. Bonds2

About lithium (Z)-1-(dimethylamino)-2-phenylprop-1-en-1-olate

lithium (Z)-1-(dimethylamino)-2-phenylprop-1-en-1-olate (PubChem CID 134893339) has the molecular formula C11H14LiNO and a molecular weight of 183.18 g/mol. Its IUPAC name is lithium (Z)-1-(dimethylamino)-2-phenylprop-1-en-1-olate.

Molecular Properties

Compound Namelithium (Z)-1-(dimethylamino)-2-phenylprop-1-en-1-olate
PubChem CID134893339
Molecular FormulaC11H14LiNO
Molecular Weight183.18 g/mol
Exact Mass183.12
IUPAC Namelithium (Z)-1-(dimethylamino)-2-phenylprop-1-en-1-olate
SMILESC/C(=C(/[O-])N(C)C)c1ccccc1.[Li+]
InChIInChI=1S/C11H15NO.Li/c1-9(11(13)12(2)3)10-7-5-4-6-8-10;/h4-8,13H,1-3H3;/q;+1/p-1/b11-9-;
InChIKeyQFJWLVZSDGJMGZ-KSIDEHCFSA-M
XLogP-1.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 5-1.70
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 1-(dimethylamino)-2,2-diphenylethenolate
CID 101054680
N,N-dimethyl-4-[(Z)-3-phenylbut-2-en-2-yl]aniline
CID 21335817
ethane;3-methylbut-2-en-2-ylbenzene
CID 91173123
sodium (E)-1-hydroxy-1-phenylprop-1-en-2-olate
CID 139880916
3-phenylbuta-1,3-dien-2-ylbenzene;[(Z)-3-phenylbut-2-en-2-yl]benzene
CID 143250660
ethane;[(E)-3-fluorobut-2-en-2-yl]benzene
CID 168939251
(E)-1,2-diphenylethene-1,2-diolate
CID 14292352
2-(dimethylamino)-1-phenylprop-2-ene-1-thione
CID 88692044
3-phenylbut-2-ene-2-sulfonamide
CID 54510026
lithium 1-phenylethanone
CID 22269591
4,4-dimethyl-2-phenylpent-2-en-3-ol
CID 71336376
2,3-diphenylbut-2-en-1-ol
CID 91085638

Frequently Asked Questions

What is the IUPAC name of lithium (Z)-1-(dimethylamino)-2-phenylprop-1-en-1-olate?
The IUPAC name of lithium (Z)-1-(dimethylamino)-2-phenylprop-1-en-1-olate (CID 134893339) is lithium (Z)-1-(dimethylamino)-2-phenylprop-1-en-1-olate.
What is the SMILES notation for lithium (Z)-1-(dimethylamino)-2-phenylprop-1-en-1-olate?
The canonical SMILES for lithium (Z)-1-(dimethylamino)-2-phenylprop-1-en-1-olate is C/C(=C(/[O-])N(C)C)c1ccccc1.[Li+].
What is the InChIKey of lithium (Z)-1-(dimethylamino)-2-phenylprop-1-en-1-olate?
The InChIKey is QFJWLVZSDGJMGZ-KSIDEHCFSA-M. The full InChI is InChI=1S/C11H15NO.Li/c1-9(11(13)12(2)3)10-7-5-4-6-8-10;/h4-8,13H,1-3H3;/q;+1/p-1/b11-9-;.
What are the key properties of lithium (Z)-1-(dimethylamino)-2-phenylprop-1-en-1-olate?
lithium (Z)-1-(dimethylamino)-2-phenylprop-1-en-1-olate has a molecular weight of 183.18 g/mol, XLogP of -1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (Z)-1-(dimethylamino)-2-phenylprop-1-en-1-olate is sourced from PubChem (CID 134893339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).