lithium N-cyclohexa-2,4-dien-1-ylidene-2,2-dimethylpropanamide

C11H14LiNO — CID 10773803

IUPAClithium N-cyclohexa-2,4-dien-1-ylidene-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N=c1cccc[cH-]1.[Li+]
InChIInChI=1S/C11H14NO.Li/c1-11(2,3)10(13)12-9-7-5-4-6-8-9;/h4-8H,1-3H3;/q-1;+1
InChIKeyDLBRJJJQDLAGML-UHFFFAOYSA-N
MW183.18 g/mol
LogP-1.12
Rot. Bonds

About lithium N-cyclohexa-2,4-dien-1-ylidene-2,2-dimethylpropanamide

lithium N-cyclohexa-2,4-dien-1-ylidene-2,2-dimethylpropanamide (PubChem CID 10773803) has the molecular formula C11H14LiNO and a molecular weight of 183.18 g/mol. Its IUPAC name is lithium N-cyclohexa-2,4-dien-1-ylidene-2,2-dimethylpropanamide.

Molecular Properties

Compound Namelithium N-cyclohexa-2,4-dien-1-ylidene-2,2-dimethylpropanamide
PubChem CID10773803
Molecular FormulaC11H14LiNO
Molecular Weight183.18 g/mol
Exact Mass183.12
IUPAC Namelithium N-cyclohexa-2,4-dien-1-ylidene-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N=c1cccc[cH-]1.[Li+]
InChIInChI=1S/C11H14NO.Li/c1-11(2,3)10(13)12-9-7-5-4-6-8-9;/h4-8H,1-3H3;/q-1;+1
InChIKeyDLBRJJJQDLAGML-UHFFFAOYSA-N
XLogP-1.12
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 5-1.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium N-cyclohexa-2,4-dien-1-ylidene-2,2-dimethylpropanamide?
The IUPAC name of lithium N-cyclohexa-2,4-dien-1-ylidene-2,2-dimethylpropanamide (CID 10773803) is lithium N-cyclohexa-2,4-dien-1-ylidene-2,2-dimethylpropanamide.
What is the SMILES notation for lithium N-cyclohexa-2,4-dien-1-ylidene-2,2-dimethylpropanamide?
The canonical SMILES for lithium N-cyclohexa-2,4-dien-1-ylidene-2,2-dimethylpropanamide is CC(C)(C)C(=O)N=c1cccc[cH-]1.[Li+].
What is the InChIKey of lithium N-cyclohexa-2,4-dien-1-ylidene-2,2-dimethylpropanamide?
The InChIKey is DLBRJJJQDLAGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14NO.Li/c1-11(2,3)10(13)12-9-7-5-4-6-8-9;/h4-8H,1-3H3;/q-1;+1.
What are the key properties of lithium N-cyclohexa-2,4-dien-1-ylidene-2,2-dimethylpropanamide?
lithium N-cyclohexa-2,4-dien-1-ylidene-2,2-dimethylpropanamide has a molecular weight of 183.18 g/mol, XLogP of -1.12, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium N-cyclohexa-2,4-dien-1-ylidene-2,2-dimethylpropanamide is sourced from PubChem (CID 10773803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).