lithium N-(3,5-dichlorocyclohexa-2,4-dien-1-ylidene)-2,2-dimethylpropanamide

C11H12Cl2LiNO — CID 10060734

IUPAClithium N-(3,5-dichlorocyclohexa-2,4-dien-1-ylidene)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N=c1cc(Cl)cc(Cl)[cH-]1.[Li+]
InChIInChI=1S/C11H12Cl2NO.Li/c1-11(2,3)10(15)14-9-5-7(12)4-8(13)6-9;/h4-6H,1-3H3;/q-1;+1
InChIKeyXNNWXMHSBVDVHC-UHFFFAOYSA-N
MW252.07 g/mol
LogP0.19
Rot. Bonds

About lithium N-(3,5-dichlorocyclohexa-2,4-dien-1-ylidene)-2,2-dimethylpropanamide

lithium N-(3,5-dichlorocyclohexa-2,4-dien-1-ylidene)-2,2-dimethylpropanamide (PubChem CID 10060734) has the molecular formula C11H12Cl2LiNO and a molecular weight of 252.07 g/mol. Its IUPAC name is lithium N-(3,5-dichlorocyclohexa-2,4-dien-1-ylidene)-2,2-dimethylpropanamide.

Molecular Properties

Compound Namelithium N-(3,5-dichlorocyclohexa-2,4-dien-1-ylidene)-2,2-dimethylpropanamide
PubChem CID10060734
Molecular FormulaC11H12Cl2LiNO
Molecular Weight252.07 g/mol
Exact Mass251.05
IUPAC Namelithium N-(3,5-dichlorocyclohexa-2,4-dien-1-ylidene)-2,2-dimethylpropanamide
SMILESCC(C)(C)C(=O)N=c1cc(Cl)cc(Cl)[cH-]1.[Li+]
InChIInChI=1S/C11H12Cl2NO.Li/c1-11(2,3)10(15)14-9-5-7(12)4-8(13)6-9;/h4-6H,1-3H3;/q-1;+1
InChIKeyXNNWXMHSBVDVHC-UHFFFAOYSA-N
XLogP0.19
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.07
LogP ≤ 50.19
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-(3,5-dichlorocyclohexa-2,4-dien-1-ylidene)-2,2-dimethylpropanamide?
The IUPAC name of lithium N-(3,5-dichlorocyclohexa-2,4-dien-1-ylidene)-2,2-dimethylpropanamide (CID 10060734) is lithium N-(3,5-dichlorocyclohexa-2,4-dien-1-ylidene)-2,2-dimethylpropanamide.
What is the SMILES notation for lithium N-(3,5-dichlorocyclohexa-2,4-dien-1-ylidene)-2,2-dimethylpropanamide?
The canonical SMILES for lithium N-(3,5-dichlorocyclohexa-2,4-dien-1-ylidene)-2,2-dimethylpropanamide is CC(C)(C)C(=O)N=c1cc(Cl)cc(Cl)[cH-]1.[Li+].
What is the InChIKey of lithium N-(3,5-dichlorocyclohexa-2,4-dien-1-ylidene)-2,2-dimethylpropanamide?
The InChIKey is XNNWXMHSBVDVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2NO.Li/c1-11(2,3)10(15)14-9-5-7(12)4-8(13)6-9;/h4-6H,1-3H3;/q-1;+1.
What are the key properties of lithium N-(3,5-dichlorocyclohexa-2,4-dien-1-ylidene)-2,2-dimethylpropanamide?
lithium N-(3,5-dichlorocyclohexa-2,4-dien-1-ylidene)-2,2-dimethylpropanamide has a molecular weight of 252.07 g/mol, XLogP of 0.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium N-(3,5-dichlorocyclohexa-2,4-dien-1-ylidene)-2,2-dimethylpropanamide is sourced from PubChem (CID 10060734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).