lithium;N-tert-butylprop-2-enamide;hydride;hydrogen sulfite

C7H15LiNO4S- — CID 175485708

IUPAClithium;N-tert-butylprop-2-enamide;hydride;hydrogen sulfite
SMILESC=CC(=O)NC(C)(C)C.O=S([O-])O.[H-].[Li+]
InChIInChI=1S/C7H13NO.Li.H2O3S.H/c1-5-6(9)8-7(2,3)4;;1-4(2)3;/h5H,1H2,2-4H3,(H,8,9);;(H2,1,2,3);/q;+1;;-1/p-1
InChIKeyONFWFUPLTZOVFD-UHFFFAOYSA-M
MW216.21 g/mol
LogP-2.46
Rot. Bonds1

About lithium;N-tert-butylprop-2-enamide;hydride;hydrogen sulfite

lithium;N-tert-butylprop-2-enamide;hydride;hydrogen sulfite (PubChem CID 175485708) has the molecular formula C7H15LiNO4S- and a molecular weight of 216.21 g/mol. Its IUPAC name is lithium;N-tert-butylprop-2-enamide;hydride;hydrogen sulfite.

Molecular Properties

Compound Namelithium;N-tert-butylprop-2-enamide;hydride;hydrogen sulfite
PubChem CID175485708
Molecular FormulaC7H15LiNO4S-
Molecular Weight216.21 g/mol
Exact Mass216.09
IUPAC Namelithium;N-tert-butylprop-2-enamide;hydride;hydrogen sulfite
SMILESC=CC(=O)NC(C)(C)C.O=S([O-])O.[H-].[Li+]
InChIInChI=1S/C7H13NO.Li.H2O3S.H/c1-5-6(9)8-7(2,3)4;;1-4(2)3;/h5H,1H2,2-4H3,(H,8,9);;(H2,1,2,3);/q;+1;;-1/p-1
InChIKeyONFWFUPLTZOVFD-UHFFFAOYSA-M
XLogP-2.46
TPSA89.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.21
LogP ≤ 5-2.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

N-tert-butylprop-2-enamide;sulfane
CID 158648389
N-tert-butylprop-2-enamide;N-methylmethanamine;hydrochloride
CID 173206543
sodium 2-(prop-2-enoylamino)propan-2-yl sulfite
CID 141350323
N-tert-butylethenesulfonamide;N-tert-butylprop-2-enamide
CID 159233646
2-methyl-2-(prop-2-enoylamino)propanoate
CID 19018280
lithium 3-methyl-3-(prop-2-enoylamino)butanoate
CID 175226947
N-[1-amino-1-(prop-2-enoylamino)ethyl]prop-2-enamide
CID 87509338
hydrogen sulfite;methyl prop-2-enoate
CID 174688508
hydrogen sulfite;prop-2-enoic acid
CID 90273216
carbanylium;2-methyl-2-(prop-2-enoylamino)propane-1-sulfonate
CID 162072286
2,2-dimethyl-1,1-bis(prop-2-enoylamino)propane-1-sulfonic acid
CID 163211981
N-(1,1,1-trifluoro-2-methylpropan-2-yl)prop-2-enamide
CID 130949338

Frequently Asked Questions

What is the IUPAC name of lithium;N-tert-butylprop-2-enamide;hydride;hydrogen sulfite?
The IUPAC name of lithium;N-tert-butylprop-2-enamide;hydride;hydrogen sulfite (CID 175485708) is lithium;N-tert-butylprop-2-enamide;hydride;hydrogen sulfite.
What is the SMILES notation for lithium;N-tert-butylprop-2-enamide;hydride;hydrogen sulfite?
The canonical SMILES for lithium;N-tert-butylprop-2-enamide;hydride;hydrogen sulfite is C=CC(=O)NC(C)(C)C.O=S([O-])O.[H-].[Li+].
What is the InChIKey of lithium;N-tert-butylprop-2-enamide;hydride;hydrogen sulfite?
The InChIKey is ONFWFUPLTZOVFD-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H13NO.Li.H2O3S.H/c1-5-6(9)8-7(2,3)4;;1-4(2)3;/h5H,1H2,2-4H3,(H,8,9);;(H2,1,2,3);/q;+1;;-1/p-1.
What are the key properties of lithium;N-tert-butylprop-2-enamide;hydride;hydrogen sulfite?
lithium;N-tert-butylprop-2-enamide;hydride;hydrogen sulfite has a molecular weight of 216.21 g/mol, XLogP of -2.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;N-tert-butylprop-2-enamide;hydride;hydrogen sulfite is sourced from PubChem (CID 175485708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).