methyl 2,5-dioxopiperidine-1-carboxylate

C7H9NO4 — CID 58426745

IUPACmethyl 2,5-dioxopiperidine-1-carboxylate
SMILESCOC(=O)N1CC(=O)CCC1=O
InChIInChI=1S/C7H9NO4/c1-12-7(11)8-4-5(9)2-3-6(8)10/h2-4H2,1H3
InChIKeyDZYMCBNSHLGMBG-UHFFFAOYSA-N
MW171.15 g/mol
LogP-0.06
Rot. Bonds

About methyl 2,5-dioxopiperidine-1-carboxylate

methyl 2,5-dioxopiperidine-1-carboxylate (PubChem CID 58426745) has the molecular formula C7H9NO4 and a molecular weight of 171.15 g/mol. Its IUPAC name is methyl 2,5-dioxopiperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2,5-dioxopiperidine-1-carboxylate
PubChem CID58426745
Molecular FormulaC7H9NO4
Molecular Weight171.15 g/mol
Exact Mass171.05
IUPAC Namemethyl 2,5-dioxopiperidine-1-carboxylate
SMILESCOC(=O)N1CC(=O)CCC1=O
InChIInChI=1S/C7H9NO4/c1-12-7(11)8-4-5(9)2-3-6(8)10/h2-4H2,1H3
InChIKeyDZYMCBNSHLGMBG-UHFFFAOYSA-N
XLogP-0.06
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.15
LogP ≤ 5-0.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2,5-dioxopiperidine-1-carboxylate?
The IUPAC name of methyl 2,5-dioxopiperidine-1-carboxylate (CID 58426745) is methyl 2,5-dioxopiperidine-1-carboxylate.
What is the SMILES notation for methyl 2,5-dioxopiperidine-1-carboxylate?
The canonical SMILES for methyl 2,5-dioxopiperidine-1-carboxylate is COC(=O)N1CC(=O)CCC1=O.
What is the InChIKey of methyl 2,5-dioxopiperidine-1-carboxylate?
The InChIKey is DZYMCBNSHLGMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO4/c1-12-7(11)8-4-5(9)2-3-6(8)10/h2-4H2,1H3.
What are the key properties of methyl 2,5-dioxopiperidine-1-carboxylate?
methyl 2,5-dioxopiperidine-1-carboxylate has a molecular weight of 171.15 g/mol, XLogP of -0.06, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,5-dioxopiperidine-1-carboxylate is sourced from PubChem (CID 58426745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).