(2-oxopyrrolidin-3-yl) hydrogen carbonate

C5H7NO4 — CID 19043576

IUPAC(2-oxopyrrolidin-3-yl) hydrogen carbonate
SMILESO=C(O)OC1CCNC1=O
InChIInChI=1S/C5H7NO4/c7-4-3(1-2-6-4)10-5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)
InChIKeyAWBXASQJCXCMOT-UHFFFAOYSA-N
MW145.11 g/mol
LogP-0.43
Rot. Bonds1

About (2-oxopyrrolidin-3-yl) hydrogen carbonate

(2-oxopyrrolidin-3-yl) hydrogen carbonate (PubChem CID 19043576) has the molecular formula C5H7NO4 and a molecular weight of 145.11 g/mol. Its IUPAC name is (2-oxopyrrolidin-3-yl) hydrogen carbonate.

Molecular Properties

Compound Name(2-oxopyrrolidin-3-yl) hydrogen carbonate
PubChem CID19043576
Molecular FormulaC5H7NO4
Molecular Weight145.11 g/mol
Exact Mass145.04
IUPAC Name(2-oxopyrrolidin-3-yl) hydrogen carbonate
SMILESO=C(O)OC1CCNC1=O
InChIInChI=1S/C5H7NO4/c7-4-3(1-2-6-4)10-5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)
InChIKeyAWBXASQJCXCMOT-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 (2-oxopyrrolidin-3-yl) hydrogen carbonate?
The IUPAC name of (2-oxopyrrolidin-3-yl) hydrogen carbonate (CID 19043576) is (2-oxopyrrolidin-3-yl) hydrogen carbonate.
What is the SMILES notation for (2-oxopyrrolidin-3-yl) hydrogen carbonate?
The canonical SMILES for (2-oxopyrrolidin-3-yl) hydrogen carbonate is O=C(O)OC1CCNC1=O.
What is the InChIKey of (2-oxopyrrolidin-3-yl) hydrogen carbonate?
The InChIKey is AWBXASQJCXCMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO4/c7-4-3(1-2-6-4)10-5(8)9/h3H,1-2H2,(H,6,7)(H,8,9).
What are the key properties of (2-oxopyrrolidin-3-yl) hydrogen carbonate?
(2-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 (2-oxopyrrolidin-3-yl) hydrogen carbonate is sourced from PubChem (CID 19043576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).