3-(2,5-dioxopyrrol-1-yl)-1-methylazetidine-3-carboxylic acid;methane;phosphane

C10H17N2O4P — CID 158348981

IUPAC3-(2,5-dioxopyrrol-1-yl)-1-methylazetidine-3-carboxylic acid;methane;phosphane
SMILESC.CN1CC(C(=O)O)(N2C(=O)C=CC2=O)C1.P
InChIInChI=1S/C9H10N2O4.CH4.H3P/c1-10-4-9(5-10,8(14)15)11-6(12)2-3-7(11)13;;/h2-3H,4-5H2,1H3,(H,14,15);1H4;1H3
InChIKeyGSBVBJWMGXTUOB-UHFFFAOYSA-N
MW260.23 g/mol
LogP-0.63
Rot. Bonds2

About 3-(2,5-dioxopyrrol-1-yl)-1-methylazetidine-3-carboxylic acid;methane;phosphane

3-(2,5-dioxopyrrol-1-yl)-1-methylazetidine-3-carboxylic acid;methane;phosphane (PubChem CID 158348981) has the molecular formula C10H17N2O4P and a molecular weight of 260.23 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrol-1-yl)-1-methylazetidine-3-carboxylic acid;methane;phosphane.

Molecular Properties

Compound Name3-(2,5-dioxopyrrol-1-yl)-1-methylazetidine-3-carboxylic acid;methane;phosphane
PubChem CID158348981
Molecular FormulaC10H17N2O4P
Molecular Weight260.23 g/mol
Exact Mass260.09
IUPAC Name3-(2,5-dioxopyrrol-1-yl)-1-methylazetidine-3-carboxylic acid;methane;phosphane
SMILESC.CN1CC(C(=O)O)(N2C(=O)C=CC2=O)C1.P
InChIInChI=1S/C9H10N2O4.CH4.H3P/c1-10-4-9(5-10,8(14)15)11-6(12)2-3-7(11)13;;/h2-3H,4-5H2,1H3,(H,14,15);1H4;1H3
InChIKeyGSBVBJWMGXTUOB-UHFFFAOYSA-N
XLogP-0.63
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.23
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-1-methylazetidine-3-carboxylic acid;methane;phosphane?
The IUPAC name of 3-(2,5-dioxopyrrol-1-yl)-1-methylazetidine-3-carboxylic acid;methane;phosphane (CID 158348981) is 3-(2,5-dioxopyrrol-1-yl)-1-methylazetidine-3-carboxylic acid;methane;phosphane.
What is the SMILES notation for 3-(2,5-dioxopyrrol-1-yl)-1-methylazetidine-3-carboxylic acid;methane;phosphane?
The canonical SMILES for 3-(2,5-dioxopyrrol-1-yl)-1-methylazetidine-3-carboxylic acid;methane;phosphane is C.CN1CC(C(=O)O)(N2C(=O)C=CC2=O)C1.P.
What is the InChIKey of 3-(2,5-dioxopyrrol-1-yl)-1-methylazetidine-3-carboxylic acid;methane;phosphane?
The InChIKey is GSBVBJWMGXTUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4.CH4.H3P/c1-10-4-9(5-10,8(14)15)11-6(12)2-3-7(11)13;;/h2-3H,4-5H2,1H3,(H,14,15);1H4;1H3.
What are the key properties of 3-(2,5-dioxopyrrol-1-yl)-1-methylazetidine-3-carboxylic acid;methane;phosphane?
3-(2,5-dioxopyrrol-1-yl)-1-methylazetidine-3-carboxylic acid;methane;phosphane has a molecular weight of 260.23 g/mol, XLogP of -0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrol-1-yl)-1-methylazetidine-3-carboxylic acid;methane;phosphane is sourced from PubChem (CID 158348981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).