lithium [(1S)-1-phenylethyl]-prop-2-enylazanide

C11H14LiN — CID 10899068

IUPAClithium [(1S)-1-phenylethyl]-prop-2-enylazanide
SMILESC=CC[N-][C@@H](C)c1ccccc1.[Li+]
InChIInChI=1S/C11H14N.Li/c1-3-9-12-10(2)11-7-5-4-6-8-11;/h3-8,10H,1,9H2,2H3;/q-1;+1/t10-;/m0./s1
InChIKeyLHWKPKNCLRISHR-PPHPATTJSA-N
MW167.18 g/mol
LogP0.31
Rot. Bonds4

About lithium [(1S)-1-phenylethyl]-prop-2-enylazanide

lithium [(1S)-1-phenylethyl]-prop-2-enylazanide (PubChem CID 10899068) has the molecular formula C11H14LiN and a molecular weight of 167.18 g/mol. Its IUPAC name is lithium [(1S)-1-phenylethyl]-prop-2-enylazanide.

Molecular Properties

Compound Namelithium [(1S)-1-phenylethyl]-prop-2-enylazanide
PubChem CID10899068
Molecular FormulaC11H14LiN
Molecular Weight167.18 g/mol
Exact Mass167.13
IUPAC Namelithium [(1S)-1-phenylethyl]-prop-2-enylazanide
SMILESC=CC[N-][C@@H](C)c1ccccc1.[Li+]
InChIInChI=1S/C11H14N.Li/c1-3-9-12-10(2)11-7-5-4-6-8-11;/h3-8,10H,1,9H2,2H3;/q-1;+1/t10-;/m0./s1
InChIKeyLHWKPKNCLRISHR-PPHPATTJSA-N
XLogP0.31
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.18
LogP ≤ 50.31
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 [(1S)-1-phenylethyl]-prop-2-enylazanide?
The IUPAC name of lithium [(1S)-1-phenylethyl]-prop-2-enylazanide (CID 10899068) is lithium [(1S)-1-phenylethyl]-prop-2-enylazanide.
What is the SMILES notation for lithium [(1S)-1-phenylethyl]-prop-2-enylazanide?
The canonical SMILES for lithium [(1S)-1-phenylethyl]-prop-2-enylazanide is C=CC[N-][C@@H](C)c1ccccc1.[Li+].
What is the InChIKey of lithium [(1S)-1-phenylethyl]-prop-2-enylazanide?
The InChIKey is LHWKPKNCLRISHR-PPHPATTJSA-N. The full InChI is InChI=1S/C11H14N.Li/c1-3-9-12-10(2)11-7-5-4-6-8-11;/h3-8,10H,1,9H2,2H3;/q-1;+1/t10-;/m0./s1.
What are the key properties of lithium [(1S)-1-phenylethyl]-prop-2-enylazanide?
lithium [(1S)-1-phenylethyl]-prop-2-enylazanide has a molecular weight of 167.18 g/mol, XLogP of 0.31, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [(1S)-1-phenylethyl]-prop-2-enylazanide is sourced from PubChem (CID 10899068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).