lithium [(E)-1-ethoxyprop-1-enyl]-phenylazanide

C11H14LiNO — CID 134975769

IUPAClithium [(E)-1-ethoxyprop-1-enyl]-phenylazanide
SMILESC/C=C(\[N-]c1ccccc1)OCC.[Li+]
InChIInChI=1S/C11H14NO.Li/c1-3-11(13-4-2)12-10-8-6-5-7-9-10;/h3,5-9H,4H2,1-2H3;/q-1;+1/b11-3+;
InChIKeyYZBGLFXAHJGLSF-KODGKZAJSA-N
MW183.18 g/mol
LogP0.59
Rot. Bonds4

About lithium [(E)-1-ethoxyprop-1-enyl]-phenylazanide

lithium [(E)-1-ethoxyprop-1-enyl]-phenylazanide (PubChem CID 134975769) has the molecular formula C11H14LiNO and a molecular weight of 183.18 g/mol. Its IUPAC name is lithium [(E)-1-ethoxyprop-1-enyl]-phenylazanide.

Molecular Properties

Compound Namelithium [(E)-1-ethoxyprop-1-enyl]-phenylazanide
PubChem CID134975769
Molecular FormulaC11H14LiNO
Molecular Weight183.18 g/mol
Exact Mass183.12
IUPAC Namelithium [(E)-1-ethoxyprop-1-enyl]-phenylazanide
SMILESC/C=C(\[N-]c1ccccc1)OCC.[Li+]
InChIInChI=1S/C11H14NO.Li/c1-3-11(13-4-2)12-10-8-6-5-7-9-10;/h3,5-9H,4H2,1-2H3;/q-1;+1/b11-3+;
InChIKeyYZBGLFXAHJGLSF-KODGKZAJSA-N
XLogP0.59
TPSA23.33 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium [(E)-1-ethoxyprop-1-enyl]-phenylazanide?
The IUPAC name of lithium [(E)-1-ethoxyprop-1-enyl]-phenylazanide (CID 134975769) is lithium [(E)-1-ethoxyprop-1-enyl]-phenylazanide.
What is the SMILES notation for lithium [(E)-1-ethoxyprop-1-enyl]-phenylazanide?
The canonical SMILES for lithium [(E)-1-ethoxyprop-1-enyl]-phenylazanide is C/C=C(\[N-]c1ccccc1)OCC.[Li+].
What is the InChIKey of lithium [(E)-1-ethoxyprop-1-enyl]-phenylazanide?
The InChIKey is YZBGLFXAHJGLSF-KODGKZAJSA-N. The full InChI is InChI=1S/C11H14NO.Li/c1-3-11(13-4-2)12-10-8-6-5-7-9-10;/h3,5-9H,4H2,1-2H3;/q-1;+1/b11-3+;.
What are the key properties of lithium [(E)-1-ethoxyprop-1-enyl]-phenylazanide?
lithium [(E)-1-ethoxyprop-1-enyl]-phenylazanide has a molecular weight of 183.18 g/mol, XLogP of 0.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [(E)-1-ethoxyprop-1-enyl]-phenylazanide is sourced from PubChem (CID 134975769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).