lithium (dipropylamino)methanone

C7H14LiNO — CID 14982490

IUPAClithium (dipropylamino)methanone
SMILESCCCN([C-]=O)CCC.[Li+]
InChIInChI=1S/C7H14NO.Li/c1-3-5-8(7-9)6-4-2;/h3-6H2,1-2H3;/q-1;+1
InChIKeyUZCQVJZIFFNZPY-UHFFFAOYSA-N
MW135.14 g/mol
LogP-1.82
Rot. Bonds5

About lithium (dipropylamino)methanone

lithium (dipropylamino)methanone (PubChem CID 14982490) has the molecular formula C7H14LiNO and a molecular weight of 135.14 g/mol. Its IUPAC name is lithium (dipropylamino)methanone.

Molecular Properties

Compound Namelithium (dipropylamino)methanone
PubChem CID14982490
Molecular FormulaC7H14LiNO
Molecular Weight135.14 g/mol
Exact Mass135.12
IUPAC Namelithium (dipropylamino)methanone
SMILESCCCN([C-]=O)CCC.[Li+]
InChIInChI=1S/C7H14NO.Li/c1-3-5-8(7-9)6-4-2;/h3-6H2,1-2H3;/q-1;+1
InChIKeyUZCQVJZIFFNZPY-UHFFFAOYSA-N
XLogP-1.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.14
LogP ≤ 5-1.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium (dipropylamino)methanone?
The IUPAC name of lithium (dipropylamino)methanone (CID 14982490) is lithium (dipropylamino)methanone.
What is the SMILES notation for lithium (dipropylamino)methanone?
The canonical SMILES for lithium (dipropylamino)methanone is CCCN([C-]=O)CCC.[Li+].
What is the InChIKey of lithium (dipropylamino)methanone?
The InChIKey is UZCQVJZIFFNZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14NO.Li/c1-3-5-8(7-9)6-4-2;/h3-6H2,1-2H3;/q-1;+1.
What are the key properties of lithium (dipropylamino)methanone?
lithium (dipropylamino)methanone has a molecular weight of 135.14 g/mol, XLogP of -1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (dipropylamino)methanone is sourced from PubChem (CID 14982490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).