lithium 4-propyliminopent-2-en-2-olate

C8H14LiNO — CID 178130174

IUPAClithium 4-propyliminopent-2-en-2-olate
SMILESCCC/N=C(\C)C=C(C)[O-].[Li+]
InChIInChI=1S/C8H15NO.Li/c1-4-5-9-7(2)6-8(3)10;/h6,10H,4-5H2,1-3H3;/q;+1/p-1/b8-6?,9-7+;
InChIKeyWGRQQJVYMHUWKF-DUUNQFCWSA-M
MW147.15 g/mol
LogP-1.87
Rot. Bonds3

About lithium 4-propyliminopent-2-en-2-olate

lithium 4-propyliminopent-2-en-2-olate (PubChem CID 178130174) has the molecular formula C8H14LiNO and a molecular weight of 147.15 g/mol. Its IUPAC name is lithium 4-propyliminopent-2-en-2-olate.

Molecular Properties

Compound Namelithium 4-propyliminopent-2-en-2-olate
PubChem CID178130174
Molecular FormulaC8H14LiNO
Molecular Weight147.15 g/mol
Exact Mass147.12
IUPAC Namelithium 4-propyliminopent-2-en-2-olate
SMILESCCC/N=C(\C)C=C(C)[O-].[Li+]
InChIInChI=1S/C8H15NO.Li/c1-4-5-9-7(2)6-8(3)10;/h6,10H,4-5H2,1-3H3;/q;+1/p-1/b8-6?,9-7+;
InChIKeyWGRQQJVYMHUWKF-DUUNQFCWSA-M
XLogP-1.87
TPSA35.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.15
LogP ≤ 5-1.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze lithium 4-propyliminopent-2-en-2-olate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

bis(cobalt(3+));methanol;bis((Z)-4-[2-[[(Z)-4-oxidopent-3-en-2-ylidene]amino]ethylimino]pent-2-en-2-olate);tetrakis(pyridine);dibromide
CID 139138990
N-propylpent-3-en-2-imine
CID 123895305
copper (Z)-4-[2-[[(Z)-4-sulfidopent-3-en-2-ylidene]amino]ethylimino]pent-2-ene-2-thiolate
CID 6432420
ethane;N'-propylethanimidamide
CID 156797871
N-methyl-N,N'-dipropylethanimidamide
CID 146184290
2-methyl-N-propylhex-1-en-3-imine
CID 123390647
N-ethenyl-N'-propylethanimidamide
CID 123737533
butane;bis((Z)-4-oxopent-2-en-2-olate);titanium(4+)
CID 87992311
lithium hept-2-en-2-olate
CID 134859584
2-propyliminopropanoic acid
CID 91004291
methyl hydrogen sulfate;N-propylprop-2-enimidate;trimethylazanium
CID 22027502
2-propylguanidine;sulfuric acid
CID 12725939

Frequently Asked Questions

What is the IUPAC name of lithium 4-propyliminopent-2-en-2-olate?
The IUPAC name of lithium 4-propyliminopent-2-en-2-olate (CID 178130174) is lithium 4-propyliminopent-2-en-2-olate.
What is the SMILES notation for lithium 4-propyliminopent-2-en-2-olate?
The canonical SMILES for lithium 4-propyliminopent-2-en-2-olate is CCC/N=C(\C)C=C(C)[O-].[Li+].
What is the InChIKey of lithium 4-propyliminopent-2-en-2-olate?
The InChIKey is WGRQQJVYMHUWKF-DUUNQFCWSA-M. The full InChI is InChI=1S/C8H15NO.Li/c1-4-5-9-7(2)6-8(3)10;/h6,10H,4-5H2,1-3H3;/q;+1/p-1/b8-6?,9-7+;.
What are the key properties of lithium 4-propyliminopent-2-en-2-olate?
lithium 4-propyliminopent-2-en-2-olate has a molecular weight of 147.15 g/mol, XLogP of -1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 4-propyliminopent-2-en-2-olate is sourced from PubChem (CID 178130174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).