lithium 4-(morpholine-4-carbonyl)benzoate

C12H12LiNO4 — CID 142428468

IUPAClithium 4-(morpholine-4-carbonyl)benzoate
SMILESO=C([O-])c1ccc(C(=O)N2CCOCC2)cc1.[Li+]
InChIInChI=1S/C12H13NO4.Li/c14-11(13-5-7-17-8-6-13)9-1-3-10(4-2-9)12(15)16;/h1-4H,5-8H2,(H,15,16);/q;+1/p-1
InChIKeyHGCFXAKQKKRXDY-UHFFFAOYSA-M
MW241.17 g/mol
LogP-3.47
Rot. Bonds2

About lithium 4-(morpholine-4-carbonyl)benzoate

lithium 4-(morpholine-4-carbonyl)benzoate (PubChem CID 142428468) has the molecular formula C12H12LiNO4 and a molecular weight of 241.17 g/mol. Its IUPAC name is lithium 4-(morpholine-4-carbonyl)benzoate.

Molecular Properties

Compound Namelithium 4-(morpholine-4-carbonyl)benzoate
PubChem CID142428468
Molecular FormulaC12H12LiNO4
Molecular Weight241.17 g/mol
Exact Mass241.09
IUPAC Namelithium 4-(morpholine-4-carbonyl)benzoate
SMILESO=C([O-])c1ccc(C(=O)N2CCOCC2)cc1.[Li+]
InChIInChI=1S/C12H13NO4.Li/c14-11(13-5-7-17-8-6-13)9-1-3-10(4-2-9)12(15)16;/h1-4H,5-8H2,(H,15,16);/q;+1/p-1
InChIKeyHGCFXAKQKKRXDY-UHFFFAOYSA-M
XLogP-3.47
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.17
LogP ≤ 5-3.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(morpholine-4-carbonyl)benzenesulfonyl fluoride
CID 165461287
[4-(hydroxymethyl)phenyl]-morpholin-4-ylmethanone
CID 60635795
(4-fluorophenyl)-(1,4-oxazepan-4-yl)methanone
CID 62060048
ethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane
CID 176553137
4-(morpholine-4-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 27258350
(1S,6S)-6-[[4-(morpholine-4-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylate
CID 6970208
morpholin-4-yl-(3,4,5-trihydroxyphenyl)methanone
CID 3047894
1-(diaminomethylidene)-2-[4-(morpholine-4-carbonyl)phenyl]guanidine
CID 11971736
3-[4-(morpholine-4-carbonyl)phenyl]propanoic acid
CID 28760123
(3-bromo-4-fluorophenyl)-morpholin-4-ylmethanone
CID 46738891
[4-(2,2-dimethylpropyl)phenyl]-morpholin-4-ylmethanone
CID 58674996
[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238

Frequently Asked Questions

What is the IUPAC name of lithium 4-(morpholine-4-carbonyl)benzoate?
The IUPAC name of lithium 4-(morpholine-4-carbonyl)benzoate (CID 142428468) is lithium 4-(morpholine-4-carbonyl)benzoate.
What is the SMILES notation for lithium 4-(morpholine-4-carbonyl)benzoate?
The canonical SMILES for lithium 4-(morpholine-4-carbonyl)benzoate is O=C([O-])c1ccc(C(=O)N2CCOCC2)cc1.[Li+].
What is the InChIKey of lithium 4-(morpholine-4-carbonyl)benzoate?
The InChIKey is HGCFXAKQKKRXDY-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H13NO4.Li/c14-11(13-5-7-17-8-6-13)9-1-3-10(4-2-9)12(15)16;/h1-4H,5-8H2,(H,15,16);/q;+1/p-1.
What are the key properties of lithium 4-(morpholine-4-carbonyl)benzoate?
lithium 4-(morpholine-4-carbonyl)benzoate has a molecular weight of 241.17 g/mol, XLogP of -3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 4-(morpholine-4-carbonyl)benzoate is sourced from PubChem (CID 142428468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).