methyl-[3-(methylamino)-4-oxopentyl]-oxophosphanium

C7H15NO2P+ — CID 159074240

IUPACmethyl-[3-(methylamino)-4-oxopentyl]-oxophosphanium
SMILESCNC(CC[P+](C)=O)C(C)=O
InChIInChI=1S/C7H15NO2P/c1-6(9)7(8-2)4-5-11(3)10/h7-8H,4-5H2,1-3H3/q+1
InChIKeyOPQLLKAOOPBIRW-UHFFFAOYSA-N
MW176.18 g/mol
LogP1.01
Rot. Bonds5

About methyl-[3-(methylamino)-4-oxopentyl]-oxophosphanium

methyl-[3-(methylamino)-4-oxopentyl]-oxophosphanium (PubChem CID 159074240) has the molecular formula C7H15NO2P+ and a molecular weight of 176.18 g/mol. Its IUPAC name is methyl-[3-(methylamino)-4-oxopentyl]-oxophosphanium.

Molecular Properties

Compound Namemethyl-[3-(methylamino)-4-oxopentyl]-oxophosphanium
PubChem CID159074240
Molecular FormulaC7H15NO2P+
Molecular Weight176.18 g/mol
Exact Mass176.08
IUPAC Namemethyl-[3-(methylamino)-4-oxopentyl]-oxophosphanium
SMILESCNC(CC[P+](C)=O)C(C)=O
InChIInChI=1S/C7H15NO2P/c1-6(9)7(8-2)4-5-11(3)10/h7-8H,4-5H2,1-3H3/q+1
InChIKeyOPQLLKAOOPBIRW-UHFFFAOYSA-N
XLogP1.01
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl-[3-(methylamino)-4-oxopentyl]-oxophosphanium?
The IUPAC name of methyl-[3-(methylamino)-4-oxopentyl]-oxophosphanium (CID 159074240) is methyl-[3-(methylamino)-4-oxopentyl]-oxophosphanium.
What is the SMILES notation for methyl-[3-(methylamino)-4-oxopentyl]-oxophosphanium?
The canonical SMILES for methyl-[3-(methylamino)-4-oxopentyl]-oxophosphanium is CNC(CC[P+](C)=O)C(C)=O.
What is the InChIKey of methyl-[3-(methylamino)-4-oxopentyl]-oxophosphanium?
The InChIKey is OPQLLKAOOPBIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2P/c1-6(9)7(8-2)4-5-11(3)10/h7-8H,4-5H2,1-3H3/q+1.
What are the key properties of methyl-[3-(methylamino)-4-oxopentyl]-oxophosphanium?
methyl-[3-(methylamino)-4-oxopentyl]-oxophosphanium has a molecular weight of 176.18 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[3-(methylamino)-4-oxopentyl]-oxophosphanium is sourced from PubChem (CID 159074240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).