lithium (2E)-2-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)imidazolidin-3-ide

C11H13LiN2 — CID 23706886

IUPAClithium (2E)-2-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)imidazolidin-3-ide
SMILESC=c1ccc(C)c/c1=C1/[N-]CCN1.[Li+]
InChIInChI=1S/C11H13N2.Li/c1-8-3-4-9(2)10(7-8)11-12-5-6-13-11;/h3-4,7,12H,2,5-6H2,1H3;/q-1;+1/b11-10-;
InChIKeyRLAIPADBAXIIQV-GMFCBQQYSA-N
MW180.18 g/mol
LogP-2.55
Rot. Bonds

About lithium (2E)-2-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)imidazolidin-3-ide

lithium (2E)-2-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)imidazolidin-3-ide (PubChem CID 23706886) has the molecular formula C11H13LiN2 and a molecular weight of 180.18 g/mol. Its IUPAC name is lithium (2E)-2-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)imidazolidin-3-ide.

Molecular Properties

Compound Namelithium (2E)-2-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)imidazolidin-3-ide
PubChem CID23706886
Molecular FormulaC11H13LiN2
Molecular Weight180.18 g/mol
Exact Mass180.12
IUPAC Namelithium (2E)-2-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)imidazolidin-3-ide
SMILESC=c1ccc(C)c/c1=C1/[N-]CCN1.[Li+]
InChIInChI=1S/C11H13N2.Li/c1-8-3-4-9(2)10(7-8)11-12-5-6-13-11;/h3-4,7,12H,2,5-6H2,1H3;/q-1;+1/b11-10-;
InChIKeyRLAIPADBAXIIQV-GMFCBQQYSA-N
XLogP-2.55
TPSA26.13 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 5-2.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of lithium (2E)-2-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)imidazolidin-3-ide?
The IUPAC name of lithium (2E)-2-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)imidazolidin-3-ide (CID 23706886) is lithium (2E)-2-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)imidazolidin-3-ide.
What is the SMILES notation for lithium (2E)-2-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)imidazolidin-3-ide?
The canonical SMILES for lithium (2E)-2-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)imidazolidin-3-ide is C=c1ccc(C)c/c1=C1/[N-]CCN1.[Li+].
What is the InChIKey of lithium (2E)-2-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)imidazolidin-3-ide?
The InChIKey is RLAIPADBAXIIQV-GMFCBQQYSA-N. The full InChI is InChI=1S/C11H13N2.Li/c1-8-3-4-9(2)10(7-8)11-12-5-6-13-11;/h3-4,7,12H,2,5-6H2,1H3;/q-1;+1/b11-10-;.
What are the key properties of lithium (2E)-2-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)imidazolidin-3-ide?
lithium (2E)-2-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)imidazolidin-3-ide has a molecular weight of 180.18 g/mol, XLogP of -2.55, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (2E)-2-(3-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)imidazolidin-3-ide is sourced from PubChem (CID 23706886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).