lithium prop-2-enylazanide

C3H6LiN — CID 11366947

IUPAClithium prop-2-enylazanide
SMILESC=CC[NH-].[Li+]
InChIInChI=1S/C3H6N.Li/c1-2-3-4;/h2,4H,1,3H2;/q-1;+1
InChIKeyIWPAOLFUJPSRPV-UHFFFAOYSA-N
MW63.03 g/mol
LogP-1.77
Rot. Bonds1

About lithium prop-2-enylazanide

lithium prop-2-enylazanide (PubChem CID 11366947) has the molecular formula C3H6LiN and a molecular weight of 63.03 g/mol. Its IUPAC name is lithium prop-2-enylazanide.

Molecular Properties

Compound Namelithium prop-2-enylazanide
PubChem CID11366947
Molecular FormulaC3H6LiN
Molecular Weight63.03 g/mol
Exact Mass63.07
IUPAC Namelithium prop-2-enylazanide
SMILESC=CC[NH-].[Li+]
InChIInChI=1S/C3H6N.Li/c1-2-3-4;/h2,4H,1,3H2;/q-1;+1
InChIKeyIWPAOLFUJPSRPV-UHFFFAOYSA-N
XLogP-1.77
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50063.03
LogP ≤ 5-1.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of lithium prop-2-enylazanide?
The IUPAC name of lithium prop-2-enylazanide (CID 11366947) is lithium prop-2-enylazanide.
What is the SMILES notation for lithium prop-2-enylazanide?
The canonical SMILES for lithium prop-2-enylazanide is C=CC[NH-].[Li+].
What is the InChIKey of lithium prop-2-enylazanide?
The InChIKey is IWPAOLFUJPSRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N.Li/c1-2-3-4;/h2,4H,1,3H2;/q-1;+1.
What are the key properties of lithium prop-2-enylazanide?
lithium prop-2-enylazanide has a molecular weight of 63.03 g/mol, XLogP of -1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium prop-2-enylazanide is sourced from PubChem (CID 11366947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).