lithium (2-prop-2-enylphenyl)azanide

C9H10LiN — CID 22988539

IUPAClithium (2-prop-2-enylphenyl)azanide
SMILESC=CCc1ccccc1[NH-].[Li+]
InChIInChI=1S/C9H10N.Li/c1-2-5-8-6-3-4-7-9(8)10;/h2-4,6-7,10H,1,5H2;/q-1;+1
InChIKeyVNGWVQNUGRUYIX-UHFFFAOYSA-N
MW139.13 g/mol
LogP0.10
Rot. Bonds2

About lithium (2-prop-2-enylphenyl)azanide

lithium (2-prop-2-enylphenyl)azanide (PubChem CID 22988539) has the molecular formula C9H10LiN and a molecular weight of 139.13 g/mol. Its IUPAC name is lithium (2-prop-2-enylphenyl)azanide.

Molecular Properties

Compound Namelithium (2-prop-2-enylphenyl)azanide
PubChem CID22988539
Molecular FormulaC9H10LiN
Molecular Weight139.13 g/mol
Exact Mass139.10
IUPAC Namelithium (2-prop-2-enylphenyl)azanide
SMILESC=CCc1ccccc1[NH-].[Li+]
InChIInChI=1S/C9H10N.Li/c1-2-5-8-6-3-4-7-9(8)10;/h2-4,6-7,10H,1,5H2;/q-1;+1
InChIKeyVNGWVQNUGRUYIX-UHFFFAOYSA-N
XLogP0.10
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.13
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[2,6-bis(prop-2-enyl)phenyl]-1,3-bis(prop-2-enyl)benzene
CID 173186666
2-(2-prop-2-enylphenyl)acetaldehyde
CID 134852101
2-prop-2-enylaniline
CID 3036592
1,2-bis(prop-2-enyl)benzene;formic acid
CID 174684610
calcium bis(2-prop-2-enylbenzenethiolate)
CID 175031842
CID 174939744
CID 174939744
1-prop-2-enyl-2-propylbenzene
CID 12585186
methane;1-methyl-2-prop-2-enylbenzene
CID 174365033
1-methyl-2-prop-2-enylbenzene;sulfane
CID 174918280
2-prop-2-enylphenol;sulfuryl dichloride
CID 174775131
boric acid;2-prop-2-enylphenol
CID 70457137
palladium(2+);2-prop-2-enylaniline;dichloride
CID 3036591

Frequently Asked Questions

What is the IUPAC name of lithium (2-prop-2-enylphenyl)azanide?
The IUPAC name of lithium (2-prop-2-enylphenyl)azanide (CID 22988539) is lithium (2-prop-2-enylphenyl)azanide.
What is the SMILES notation for lithium (2-prop-2-enylphenyl)azanide?
The canonical SMILES for lithium (2-prop-2-enylphenyl)azanide is C=CCc1ccccc1[NH-].[Li+].
What is the InChIKey of lithium (2-prop-2-enylphenyl)azanide?
The InChIKey is VNGWVQNUGRUYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N.Li/c1-2-5-8-6-3-4-7-9(8)10;/h2-4,6-7,10H,1,5H2;/q-1;+1.
What are the key properties of lithium (2-prop-2-enylphenyl)azanide?
lithium (2-prop-2-enylphenyl)azanide has a molecular weight of 139.13 g/mol, XLogP of 0.10, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (2-prop-2-enylphenyl)azanide is sourced from PubChem (CID 22988539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).