(5-oxopyrrolidin-3-yl) hydrogen carbonate

C5H7NO4 — CID 22076511

IUPAC(5-oxopyrrolidin-3-yl) hydrogen carbonate
SMILESO=C1CC(OC(=O)O)CN1
InChIInChI=1S/C5H7NO4/c7-4-1-3(2-6-4)10-5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)
InChIKeyKQUHCROUYXDDEW-UHFFFAOYSA-N
MW145.11 g/mol
LogP-0.43
Rot. Bonds1

About (5-oxopyrrolidin-3-yl) hydrogen carbonate

(5-oxopyrrolidin-3-yl) hydrogen carbonate (PubChem CID 22076511) has the molecular formula C5H7NO4 and a molecular weight of 145.11 g/mol. Its IUPAC name is (5-oxopyrrolidin-3-yl) hydrogen carbonate.

Molecular Properties

Compound Name(5-oxopyrrolidin-3-yl) hydrogen carbonate
PubChem CID22076511
Molecular FormulaC5H7NO4
Molecular Weight145.11 g/mol
Exact Mass145.04
IUPAC Name(5-oxopyrrolidin-3-yl) hydrogen carbonate
SMILESO=C1CC(OC(=O)O)CN1
InChIInChI=1S/C5H7NO4/c7-4-1-3(2-6-4)10-5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)
InChIKeyKQUHCROUYXDDEW-UHFFFAOYSA-N
XLogP-0.43
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.11
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-oxopyrrolidin-3-yl) hydrogen carbonate?
The IUPAC name of (5-oxopyrrolidin-3-yl) hydrogen carbonate (CID 22076511) is (5-oxopyrrolidin-3-yl) hydrogen carbonate.
What is the SMILES notation for (5-oxopyrrolidin-3-yl) hydrogen carbonate?
The canonical SMILES for (5-oxopyrrolidin-3-yl) hydrogen carbonate is O=C1CC(OC(=O)O)CN1.
What is the InChIKey of (5-oxopyrrolidin-3-yl) hydrogen carbonate?
The InChIKey is KQUHCROUYXDDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO4/c7-4-1-3(2-6-4)10-5(8)9/h3H,1-2H2,(H,6,7)(H,8,9).
What are the key properties of (5-oxopyrrolidin-3-yl) hydrogen carbonate?
(5-oxopyrrolidin-3-yl) hydrogen carbonate has a molecular weight of 145.11 g/mol, XLogP of -0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-oxopyrrolidin-3-yl) hydrogen carbonate is sourced from PubChem (CID 22076511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).