3-[2,5-dioxo-3-(phosphanylmethyl)pyrrolidin-1-yl]-N-pentan-2-ylpropanamide

C13H23N2O3P — CID 130282787

IUPAC3-[2,5-dioxo-3-(phosphanylmethyl)pyrrolidin-1-yl]-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)CCN1C(=O)CC(CP)C1=O
InChIInChI=1S/C13H23N2O3P/c1-3-4-9(2)14-11(16)5-6-15-12(17)7-10(8-19)13(15)18/h9-10H,3-8,19H2,1-2H3,(H,14,16)
InChIKeyXFBDKHYKTKGCCT-UHFFFAOYSA-N
MW286.31 g/mol
LogP0.93
Rot. Bonds7

About 3-[2,5-dioxo-3-(phosphanylmethyl)pyrrolidin-1-yl]-N-pentan-2-ylpropanamide

3-[2,5-dioxo-3-(phosphanylmethyl)pyrrolidin-1-yl]-N-pentan-2-ylpropanamide (PubChem CID 130282787) has the molecular formula C13H23N2O3P and a molecular weight of 286.31 g/mol. Its IUPAC name is 3-[2,5-dioxo-3-(phosphanylmethyl)pyrrolidin-1-yl]-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name3-[2,5-dioxo-3-(phosphanylmethyl)pyrrolidin-1-yl]-N-pentan-2-ylpropanamide
PubChem CID130282787
Molecular FormulaC13H23N2O3P
Molecular Weight286.31 g/mol
Exact Mass286.14
IUPAC Name3-[2,5-dioxo-3-(phosphanylmethyl)pyrrolidin-1-yl]-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)CCN1C(=O)CC(CP)C1=O
InChIInChI=1S/C13H23N2O3P/c1-3-4-9(2)14-11(16)5-6-15-12(17)7-10(8-19)13(15)18/h9-10H,3-8,19H2,1-2H3,(H,14,16)
InChIKeyXFBDKHYKTKGCCT-UHFFFAOYSA-N
XLogP0.93
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)propanamide
CID 126550295
3-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-[4-[3-(2-methylhydrazinyl)-3-oxopropoxy]butan-2-yl]propanamide
CID 174277679
3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-(3-methyl-2-oxobutoxy)ethoxy]ethyl]propanamide
CID 67977208
(2S)-2-[3-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)propanoylamino]-N-[(2S)-4-methyl-3-oxopentan-2-yl]propanamide
CID 174282283
4-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[4-oxo-4-(propan-2-ylamino)butoxy]ethyl]butanamide
CID 167208033
2-[3-(3-hexan-2-ylsulfanyl-2,5-dioxopyrrolidin-1-yl)propanoylamino]-N-[(2S)-1-oxopropan-2-yl]propanamide
CID 172565705
3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-N-[3-methyl-3-(3,3,5-trimethyl-4-oxohexoxy)butyl]propanamide
CID 167062986
3-ethyl-1-nonylpyrrolidine-2,5-dione
CID 512846
3-ethyl-1-(7-methyl-6-oxononyl)pyrrolidine-2,5-dione
CID 145169195
6-(2,5-dioxo-3-pentan-2-ylsulfanylpyrrolidin-1-yl)hexanehydrazide
CID 121328368
ethane;3-(3-ethyl-2,5-dioxopyrrolidin-1-yl)-N-[2-[2-(2-oxopropoxy)ethoxy]ethyl]propanamide
CID 155745456
N-(3-methylbutyl)-3-[3-(7-methyloctylsulfanyl)-2,5-dioxopyrrolidin-1-yl]propanamide
CID 139318601

Frequently Asked Questions

What is the IUPAC name of 3-[2,5-dioxo-3-(phosphanylmethyl)pyrrolidin-1-yl]-N-pentan-2-ylpropanamide?
The IUPAC name of 3-[2,5-dioxo-3-(phosphanylmethyl)pyrrolidin-1-yl]-N-pentan-2-ylpropanamide (CID 130282787) is 3-[2,5-dioxo-3-(phosphanylmethyl)pyrrolidin-1-yl]-N-pentan-2-ylpropanamide.
What is the SMILES notation for 3-[2,5-dioxo-3-(phosphanylmethyl)pyrrolidin-1-yl]-N-pentan-2-ylpropanamide?
The canonical SMILES for 3-[2,5-dioxo-3-(phosphanylmethyl)pyrrolidin-1-yl]-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)CCN1C(=O)CC(CP)C1=O.
What is the InChIKey of 3-[2,5-dioxo-3-(phosphanylmethyl)pyrrolidin-1-yl]-N-pentan-2-ylpropanamide?
The InChIKey is XFBDKHYKTKGCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N2O3P/c1-3-4-9(2)14-11(16)5-6-15-12(17)7-10(8-19)13(15)18/h9-10H,3-8,19H2,1-2H3,(H,14,16).
What are the key properties of 3-[2,5-dioxo-3-(phosphanylmethyl)pyrrolidin-1-yl]-N-pentan-2-ylpropanamide?
3-[2,5-dioxo-3-(phosphanylmethyl)pyrrolidin-1-yl]-N-pentan-2-ylpropanamide has a molecular weight of 286.31 g/mol, XLogP of 0.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,5-dioxo-3-(phosphanylmethyl)pyrrolidin-1-yl]-N-pentan-2-ylpropanamide is sourced from PubChem (CID 130282787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).