methyl-methylidene-[(4-oxopiperidine-1-carbonyl)oxymethyl]phosphanium

C9H15NO3P+ — CID 91000082

IUPACmethyl-methylidene-[(4-oxopiperidine-1-carbonyl)oxymethyl]phosphanium
SMILESC=[P+](C)COC(=O)N1CCC(=O)CC1
InChIInChI=1S/C9H15NO3P/c1-14(2)7-13-9(12)10-5-3-8(11)4-6-10/h1,3-7H2,2H3/q+1
InChIKeyZYMRKSMFUVMLGM-UHFFFAOYSA-N
MW216.20 g/mol
LogP1.29
Rot. Bonds2

About methyl-methylidene-[(4-oxopiperidine-1-carbonyl)oxymethyl]phosphanium

methyl-methylidene-[(4-oxopiperidine-1-carbonyl)oxymethyl]phosphanium (PubChem CID 91000082) has the molecular formula C9H15NO3P+ and a molecular weight of 216.20 g/mol. Its IUPAC name is methyl-methylidene-[(4-oxopiperidine-1-carbonyl)oxymethyl]phosphanium.

Molecular Properties

Compound Namemethyl-methylidene-[(4-oxopiperidine-1-carbonyl)oxymethyl]phosphanium
PubChem CID91000082
Molecular FormulaC9H15NO3P+
Molecular Weight216.20 g/mol
Exact Mass216.08
IUPAC Namemethyl-methylidene-[(4-oxopiperidine-1-carbonyl)oxymethyl]phosphanium
SMILESC=[P+](C)COC(=O)N1CCC(=O)CC1
InChIInChI=1S/C9H15NO3P/c1-14(2)7-13-9(12)10-5-3-8(11)4-6-10/h1,3-7H2,2H3/q+1
InChIKeyZYMRKSMFUVMLGM-UHFFFAOYSA-N
XLogP1.29
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 51.29
H-Bond Donors ≤ 50
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-methylidene-[(4-oxopiperidine-1-carbonyl)oxymethyl]phosphanium?
The IUPAC name of methyl-methylidene-[(4-oxopiperidine-1-carbonyl)oxymethyl]phosphanium (CID 91000082) is methyl-methylidene-[(4-oxopiperidine-1-carbonyl)oxymethyl]phosphanium.
What is the SMILES notation for methyl-methylidene-[(4-oxopiperidine-1-carbonyl)oxymethyl]phosphanium?
The canonical SMILES for methyl-methylidene-[(4-oxopiperidine-1-carbonyl)oxymethyl]phosphanium is C=[P+](C)COC(=O)N1CCC(=O)CC1.
What is the InChIKey of methyl-methylidene-[(4-oxopiperidine-1-carbonyl)oxymethyl]phosphanium?
The InChIKey is ZYMRKSMFUVMLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3P/c1-14(2)7-13-9(12)10-5-3-8(11)4-6-10/h1,3-7H2,2H3/q+1.
What are the key properties of methyl-methylidene-[(4-oxopiperidine-1-carbonyl)oxymethyl]phosphanium?
methyl-methylidene-[(4-oxopiperidine-1-carbonyl)oxymethyl]phosphanium has a molecular weight of 216.20 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-methylidene-[(4-oxopiperidine-1-carbonyl)oxymethyl]phosphanium is sourced from PubChem (CID 91000082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).