1-[5-(2,5-dioxopyrrolidin-1-yl)oxy-2,4,4-trimethyl-5-phosphanylidenepentan-2-yl]pyrrole-2,5-dione

C16H21N2O5P — CID 156509853

IUPAC1-[5-(2,5-dioxopyrrolidin-1-yl)oxy-2,4,4-trimethyl-5-phosphanylidenepentan-2-yl]pyrrole-2,5-dione
SMILES[H]/P=C(\ON1C(=O)CCC1=O)C(C)(C)CC(C)(C)N1C(=O)C=CC1=O
InChIInChI=1S/C16H21N2O5P/c1-15(2,14(24)23-18-12(21)7-8-13(18)22)9-16(3,4)17-10(19)5-6-11(17)20/h5-6,24H,7-9H2,1-4H3
InChIKeyXCMBCFAPGAKORB-UHFFFAOYSA-N
MW352.33 g/mol
LogP1.46
Rot. Bonds6

About 1-[5-(2,5-dioxopyrrolidin-1-yl)oxy-2,4,4-trimethyl-5-phosphanylidenepentan-2-yl]pyrrole-2,5-dione

1-[5-(2,5-dioxopyrrolidin-1-yl)oxy-2,4,4-trimethyl-5-phosphanylidenepentan-2-yl]pyrrole-2,5-dione (PubChem CID 156509853) has the molecular formula C16H21N2O5P and a molecular weight of 352.33 g/mol. Its IUPAC name is 1-[5-(2,5-dioxopyrrolidin-1-yl)oxy-2,4,4-trimethyl-5-phosphanylidenepentan-2-yl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[5-(2,5-dioxopyrrolidin-1-yl)oxy-2,4,4-trimethyl-5-phosphanylidenepentan-2-yl]pyrrole-2,5-dione
PubChem CID156509853
Molecular FormulaC16H21N2O5P
Molecular Weight352.33 g/mol
Exact Mass352.12
IUPAC Name1-[5-(2,5-dioxopyrrolidin-1-yl)oxy-2,4,4-trimethyl-5-phosphanylidenepentan-2-yl]pyrrole-2,5-dione
SMILES[H]/P=C(\ON1C(=O)CCC1=O)C(C)(C)CC(C)(C)N1C(=O)C=CC1=O
InChIInChI=1S/C16H21N2O5P/c1-15(2,14(24)23-18-12(21)7-8-13(18)22)9-16(3,4)17-10(19)5-6-11(17)20/h5-6,24H,7-9H2,1-4H3
InChIKeyXCMBCFAPGAKORB-UHFFFAOYSA-N
XLogP1.46
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.33
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 1-[5-(2,5-dioxopyrrolidin-1-yl)oxy-2,4,4-trimethyl-5-phosphanylidenepentan-2-yl]pyrrole-2,5-dione?
The IUPAC name of 1-[5-(2,5-dioxopyrrolidin-1-yl)oxy-2,4,4-trimethyl-5-phosphanylidenepentan-2-yl]pyrrole-2,5-dione (CID 156509853) is 1-[5-(2,5-dioxopyrrolidin-1-yl)oxy-2,4,4-trimethyl-5-phosphanylidenepentan-2-yl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[5-(2,5-dioxopyrrolidin-1-yl)oxy-2,4,4-trimethyl-5-phosphanylidenepentan-2-yl]pyrrole-2,5-dione?
The canonical SMILES for 1-[5-(2,5-dioxopyrrolidin-1-yl)oxy-2,4,4-trimethyl-5-phosphanylidenepentan-2-yl]pyrrole-2,5-dione is [H]/P=C(\ON1C(=O)CCC1=O)C(C)(C)CC(C)(C)N1C(=O)C=CC1=O.
What is the InChIKey of 1-[5-(2,5-dioxopyrrolidin-1-yl)oxy-2,4,4-trimethyl-5-phosphanylidenepentan-2-yl]pyrrole-2,5-dione?
The InChIKey is XCMBCFAPGAKORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N2O5P/c1-15(2,14(24)23-18-12(21)7-8-13(18)22)9-16(3,4)17-10(19)5-6-11(17)20/h5-6,24H,7-9H2,1-4H3.
What are the key properties of 1-[5-(2,5-dioxopyrrolidin-1-yl)oxy-2,4,4-trimethyl-5-phosphanylidenepentan-2-yl]pyrrole-2,5-dione?
1-[5-(2,5-dioxopyrrolidin-1-yl)oxy-2,4,4-trimethyl-5-phosphanylidenepentan-2-yl]pyrrole-2,5-dione has a molecular weight of 352.33 g/mol, XLogP of 1.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,5-dioxopyrrolidin-1-yl)oxy-2,4,4-trimethyl-5-phosphanylidenepentan-2-yl]pyrrole-2,5-dione is sourced from PubChem (CID 156509853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).