lithium [3-[(3-methoxyisoindol-1-ylidene)amino]isoindol-1-ylidene]azanide

C17H11LiN4O — CID 11044595

IUPAClithium [3-[(3-methoxyisoindol-1-ylidene)amino]isoindol-1-ylidene]azanide
SMILESCOC1=N/C(=N\C2=NC(=[N-])c3ccccc32)c2ccccc21.[Li+]
InChIInChI=1S/C17H11N4O.Li/c1-22-17-13-9-5-4-8-12(13)16(21-17)20-15-11-7-3-2-6-10(11)14(18)19-15;/h2-9H,1H3;/q-1;+1/b20-16-;
InChIKeyZJPDHLJPKSFWOQ-LRZQPWDCSA-N
MW294.24 g/mol
LogP-0.38
Rot. Bonds

About lithium [3-[(3-methoxyisoindol-1-ylidene)amino]isoindol-1-ylidene]azanide

lithium [3-[(3-methoxyisoindol-1-ylidene)amino]isoindol-1-ylidene]azanide (PubChem CID 11044595) has the molecular formula C17H11LiN4O and a molecular weight of 294.24 g/mol. Its IUPAC name is lithium [3-[(3-methoxyisoindol-1-ylidene)amino]isoindol-1-ylidene]azanide.

Molecular Properties

Compound Namelithium [3-[(3-methoxyisoindol-1-ylidene)amino]isoindol-1-ylidene]azanide
PubChem CID11044595
Molecular FormulaC17H11LiN4O
Molecular Weight294.24 g/mol
Exact Mass294.11
IUPAC Namelithium [3-[(3-methoxyisoindol-1-ylidene)amino]isoindol-1-ylidene]azanide
SMILESCOC1=N/C(=N\C2=NC(=[N-])c3ccccc32)c2ccccc21.[Li+]
InChIInChI=1S/C17H11N4O.Li/c1-22-17-13-9-5-4-8-12(13)16(21-17)20-15-11-7-3-2-6-10(11)14(18)19-15;/h2-9H,1H3;/q-1;+1/b20-16-;
InChIKeyZJPDHLJPKSFWOQ-LRZQPWDCSA-N
XLogP-0.38
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 5-0.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze lithium [3-[(3-methoxyisoindol-1-ylidene)amino]isoindol-1-ylidene]azanide with MolForge

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Launch Full Analysis

Related Compounds

1H-Isoindole, 3-methoxy-1-methyl-
CID 589658
Sbb040173
CID 12286810
3-Methoxy-1H-isoindol-1-imine
CID 12328983
3-methoxy-3H-isoindol-1-amine
CID 13353217
1-Benzylidene-4-fluoro-3-methoxyisoindole
CID 141735328
3-Ethoxy-1H-isoindole
CID 583742
3-methoxy-1H-isoindole
CID 13248800
3-Methoxy-1-phenyl-1H-isoindole
CID 12792470
5-methoxy-1H-2,4-benzodiazepine
CID 12921189
[3-[(3-Methoxyisoindol-1-ylidene)amino]isoindol-1-ylidene]azanide
CID 101540746
Lithium [3-[[5,6-bis(3,3-dimethylbut-1-ynyl)-3-methoxyisoindol-1-ylidene]amino]-5,6-bis(3,3-dimethylbut-1-ynyl)isoindol-1-ylidene]azanide
CID 134871564
(3E)-1-methoxy-3-[1-(4-methylphenyl)pentylidene]isoindole
CID 101010301

Frequently Asked Questions

What is the IUPAC name of lithium [3-[(3-methoxyisoindol-1-ylidene)amino]isoindol-1-ylidene]azanide?
The IUPAC name of lithium [3-[(3-methoxyisoindol-1-ylidene)amino]isoindol-1-ylidene]azanide (CID 11044595) is lithium [3-[(3-methoxyisoindol-1-ylidene)amino]isoindol-1-ylidene]azanide.
What is the SMILES notation for lithium [3-[(3-methoxyisoindol-1-ylidene)amino]isoindol-1-ylidene]azanide?
The canonical SMILES for lithium [3-[(3-methoxyisoindol-1-ylidene)amino]isoindol-1-ylidene]azanide is COC1=N/C(=N\C2=NC(=[N-])c3ccccc32)c2ccccc21.[Li+].
What is the InChIKey of lithium [3-[(3-methoxyisoindol-1-ylidene)amino]isoindol-1-ylidene]azanide?
The InChIKey is ZJPDHLJPKSFWOQ-LRZQPWDCSA-N. The full InChI is InChI=1S/C17H11N4O.Li/c1-22-17-13-9-5-4-8-12(13)16(21-17)20-15-11-7-3-2-6-10(11)14(18)19-15;/h2-9H,1H3;/q-1;+1/b20-16-;.
What are the key properties of lithium [3-[(3-methoxyisoindol-1-ylidene)amino]isoindol-1-ylidene]azanide?
lithium [3-[(3-methoxyisoindol-1-ylidene)amino]isoindol-1-ylidene]azanide has a molecular weight of 294.24 g/mol, XLogP of -0.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [3-[(3-methoxyisoindol-1-ylidene)amino]isoindol-1-ylidene]azanide is sourced from PubChem (CID 11044595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).