lithium (Z)-4-butyliminopent-2-en-2-olate

C9H16LiNO — CID 178130163

IUPAClithium (Z)-4-butyliminopent-2-en-2-olate
SMILESCCCC/N=C(C)/C=C(/C)[O-].[Li+]
InChIInChI=1S/C9H17NO.Li/c1-4-5-6-10-8(2)7-9(3)11;/h7,11H,4-6H2,1-3H3;/q;+1/p-1/b9-7-,10-8+;
InChIKeyUCFUWSJCNYSEHR-OMINISFASA-M
MW161.17 g/mol
LogP-1.48
Rot. Bonds4

About lithium (Z)-4-butyliminopent-2-en-2-olate

lithium (Z)-4-butyliminopent-2-en-2-olate (PubChem CID 178130163) has the molecular formula C9H16LiNO and a molecular weight of 161.17 g/mol. Its IUPAC name is lithium (Z)-4-butyliminopent-2-en-2-olate.

Molecular Properties

Compound Namelithium (Z)-4-butyliminopent-2-en-2-olate
PubChem CID178130163
Molecular FormulaC9H16LiNO
Molecular Weight161.17 g/mol
Exact Mass161.14
IUPAC Namelithium (Z)-4-butyliminopent-2-en-2-olate
SMILESCCCC/N=C(C)/C=C(/C)[O-].[Li+]
InChIInChI=1S/C9H17NO.Li/c1-4-5-6-10-8(2)7-9(3)11;/h7,11H,4-6H2,1-3H3;/q;+1/p-1/b9-7-,10-8+;
InChIKeyUCFUWSJCNYSEHR-OMINISFASA-M
XLogP-1.48
TPSA35.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.17
LogP ≤ 5-1.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-4-methyliminopent-2-en-2-olate
CID 58104808
(Z)-4-tert-butyliminopent-2-en-2-olate
CID 58104810
(Z)-4-propan-2-yliminopent-2-en-2-olate
CID 102466069
ethane;(E)-N-ethyl-4-methoxypent-3-en-2-imine
CID 142313444
(Z)-4-dimethylalumanyloxy-N-methylpent-3-en-2-imine
CID 154587309
(Z)-4-di(propan-2-yl)alumanyloxy-N-methylpent-3-en-2-imine
CID 154587315
(Z)-4-diethylalumanyloxy-N-methylpent-3-en-2-imine
CID 154587343
(Z)-4-di(propan-2-yl)alumanyloxy-N-propan-2-ylpent-3-en-2-imine
CID 154587344
(Z)-4-dimethylalumanyloxy-N-ethylpent-3-en-2-imine
CID 154587345
(Z)-4-dimethylalumanyloxy-N-propan-2-ylpent-3-en-2-imine
CID 154587353
(Z)-4-diethylalumanyloxy-N-propan-2-ylpent-3-en-2-imine
CID 154587360
(Z)-4-diethylalumanyloxy-N-ethylpent-3-en-2-imine
CID 154587362

Frequently Asked Questions

What is the IUPAC name of lithium (Z)-4-butyliminopent-2-en-2-olate?
The IUPAC name of lithium (Z)-4-butyliminopent-2-en-2-olate (CID 178130163) is lithium (Z)-4-butyliminopent-2-en-2-olate.
What is the SMILES notation for lithium (Z)-4-butyliminopent-2-en-2-olate?
The canonical SMILES for lithium (Z)-4-butyliminopent-2-en-2-olate is CCCC/N=C(C)/C=C(/C)[O-].[Li+].
What is the InChIKey of lithium (Z)-4-butyliminopent-2-en-2-olate?
The InChIKey is UCFUWSJCNYSEHR-OMINISFASA-M. The full InChI is InChI=1S/C9H17NO.Li/c1-4-5-6-10-8(2)7-9(3)11;/h7,11H,4-6H2,1-3H3;/q;+1/p-1/b9-7-,10-8+;.
What are the key properties of lithium (Z)-4-butyliminopent-2-en-2-olate?
lithium (Z)-4-butyliminopent-2-en-2-olate has a molecular weight of 161.17 g/mol, XLogP of -1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (Z)-4-butyliminopent-2-en-2-olate is sourced from PubChem (CID 178130163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).