lithium 2-methoxy-N-propan-2-ylprop-2-enamide

C7H12LiNO2 — CID 134906467

IUPAClithium 2-methoxy-N-propan-2-ylprop-2-enamide
SMILES[H]/[C-]=C(/OC)C(=O)NC(C)C.[Li+]
InChIInChI=1S/C7H12NO2.Li/c1-5(2)8-7(9)6(3)10-4;/h3,5H,1-2,4H3,(H,8,9);/q-1;+1
InChIKeyLNUQLOZXPIQJRR-UHFFFAOYSA-N
MW149.12 g/mol
LogP-2.52
Rot. Bonds3

About lithium 2-methoxy-N-propan-2-ylprop-2-enamide

lithium 2-methoxy-N-propan-2-ylprop-2-enamide (PubChem CID 134906467) has the molecular formula C7H12LiNO2 and a molecular weight of 149.12 g/mol. Its IUPAC name is lithium 2-methoxy-N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound Namelithium 2-methoxy-N-propan-2-ylprop-2-enamide
PubChem CID134906467
Molecular FormulaC7H12LiNO2
Molecular Weight149.12 g/mol
Exact Mass149.10
IUPAC Namelithium 2-methoxy-N-propan-2-ylprop-2-enamide
SMILES[H]/[C-]=C(/OC)C(=O)NC(C)C.[Li+]
InChIInChI=1S/C7H12NO2.Li/c1-5(2)8-7(9)6(3)10-4;/h3,5H,1-2,4H3,(H,8,9);/q-1;+1
InChIKeyLNUQLOZXPIQJRR-UHFFFAOYSA-N
XLogP-2.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.12
LogP ≤ 5-2.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium 2-methoxy-N-propan-2-ylprop-2-enamide?
The IUPAC name of lithium 2-methoxy-N-propan-2-ylprop-2-enamide (CID 134906467) is lithium 2-methoxy-N-propan-2-ylprop-2-enamide.
What is the SMILES notation for lithium 2-methoxy-N-propan-2-ylprop-2-enamide?
The canonical SMILES for lithium 2-methoxy-N-propan-2-ylprop-2-enamide is [H]/[C-]=C(/OC)C(=O)NC(C)C.[Li+].
What is the InChIKey of lithium 2-methoxy-N-propan-2-ylprop-2-enamide?
The InChIKey is LNUQLOZXPIQJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12NO2.Li/c1-5(2)8-7(9)6(3)10-4;/h3,5H,1-2,4H3,(H,8,9);/q-1;+1.
What are the key properties of lithium 2-methoxy-N-propan-2-ylprop-2-enamide?
lithium 2-methoxy-N-propan-2-ylprop-2-enamide has a molecular weight of 149.12 g/mol, XLogP of -2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 2-methoxy-N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 134906467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).