lithium [[(E)-3-(dimethylamino)-2-methyl-3-oxoprop-1-enyl]-propan-2-ylamino]azanide

C9H18LiN3O — CID 168910402

IUPAClithium [[(E)-3-(dimethylamino)-2-methyl-3-oxoprop-1-enyl]-propan-2-ylamino]azanide
SMILESC/C(=C\N([NH-])C(C)C)C(=O)N(C)C.[Li+]
InChIInChI=1S/C9H18N3O.Li/c1-7(2)12(10)6-8(3)9(13)11(4)5;/h6-7,10H,1-5H3;/q-1;+1/b8-6+;
InChIKeyNBRXTUABUUWBEE-WVLIHFOGSA-N
MW191.20 g/mol
LogP-1.34
Rot. Bonds3

About lithium [[(E)-3-(dimethylamino)-2-methyl-3-oxoprop-1-enyl]-propan-2-ylamino]azanide

lithium [[(E)-3-(dimethylamino)-2-methyl-3-oxoprop-1-enyl]-propan-2-ylamino]azanide (PubChem CID 168910402) has the molecular formula C9H18LiN3O and a molecular weight of 191.20 g/mol. Its IUPAC name is lithium [[(E)-3-(dimethylamino)-2-methyl-3-oxoprop-1-enyl]-propan-2-ylamino]azanide.

Molecular Properties

Compound Namelithium [[(E)-3-(dimethylamino)-2-methyl-3-oxoprop-1-enyl]-propan-2-ylamino]azanide
PubChem CID168910402
Molecular FormulaC9H18LiN3O
Molecular Weight191.20 g/mol
Exact Mass191.16
IUPAC Namelithium [[(E)-3-(dimethylamino)-2-methyl-3-oxoprop-1-enyl]-propan-2-ylamino]azanide
SMILESC/C(=C\N([NH-])C(C)C)C(=O)N(C)C.[Li+]
InChIInChI=1S/C9H18N3O.Li/c1-7(2)12(10)6-8(3)9(13)11(4)5;/h6-7,10H,1-5H3;/q-1;+1/b8-6+;
InChIKeyNBRXTUABUUWBEE-WVLIHFOGSA-N
XLogP-1.34
TPSA47.35 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 5-1.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of lithium [[(E)-3-(dimethylamino)-2-methyl-3-oxoprop-1-enyl]-propan-2-ylamino]azanide?
The IUPAC name of lithium [[(E)-3-(dimethylamino)-2-methyl-3-oxoprop-1-enyl]-propan-2-ylamino]azanide (CID 168910402) is lithium [[(E)-3-(dimethylamino)-2-methyl-3-oxoprop-1-enyl]-propan-2-ylamino]azanide.
What is the SMILES notation for lithium [[(E)-3-(dimethylamino)-2-methyl-3-oxoprop-1-enyl]-propan-2-ylamino]azanide?
The canonical SMILES for lithium [[(E)-3-(dimethylamino)-2-methyl-3-oxoprop-1-enyl]-propan-2-ylamino]azanide is C/C(=C\N([NH-])C(C)C)C(=O)N(C)C.[Li+].
What is the InChIKey of lithium [[(E)-3-(dimethylamino)-2-methyl-3-oxoprop-1-enyl]-propan-2-ylamino]azanide?
The InChIKey is NBRXTUABUUWBEE-WVLIHFOGSA-N. The full InChI is InChI=1S/C9H18N3O.Li/c1-7(2)12(10)6-8(3)9(13)11(4)5;/h6-7,10H,1-5H3;/q-1;+1/b8-6+;.
What are the key properties of lithium [[(E)-3-(dimethylamino)-2-methyl-3-oxoprop-1-enyl]-propan-2-ylamino]azanide?
lithium [[(E)-3-(dimethylamino)-2-methyl-3-oxoprop-1-enyl]-propan-2-ylamino]azanide has a molecular weight of 191.20 g/mol, XLogP of -1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [[(E)-3-(dimethylamino)-2-methyl-3-oxoprop-1-enyl]-propan-2-ylamino]azanide is sourced from PubChem (CID 168910402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).