(2-oxopyrrolidin-1-yl) hydrogen carbonate

C5H7NO4 — CID 57473687

IUPAC(2-oxopyrrolidin-1-yl) hydrogen carbonate
SMILESO=C(O)ON1CCCC1=O
InChIInChI=1S/C5H7NO4/c7-4-2-1-3-6(4)10-5(8)9/h1-3H2,(H,8,9)
InChIKeyRXPYORFVILTJQN-UHFFFAOYSA-N
MW145.11 g/mol
LogP0.22
Rot. Bonds1

About (2-oxopyrrolidin-1-yl) hydrogen carbonate

(2-oxopyrrolidin-1-yl) hydrogen carbonate (PubChem CID 57473687) has the molecular formula C5H7NO4 and a molecular weight of 145.11 g/mol. Its IUPAC name is (2-oxopyrrolidin-1-yl) hydrogen carbonate.

Molecular Properties

Compound Name(2-oxopyrrolidin-1-yl) hydrogen carbonate
PubChem CID57473687
Molecular FormulaC5H7NO4
Molecular Weight145.11 g/mol
Exact Mass145.04
IUPAC Name(2-oxopyrrolidin-1-yl) hydrogen carbonate
SMILESO=C(O)ON1CCCC1=O
InChIInChI=1S/C5H7NO4/c7-4-2-1-3-6(4)10-5(8)9/h1-3H2,(H,8,9)
InChIKeyRXPYORFVILTJQN-UHFFFAOYSA-N
XLogP0.22
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.11
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-oxopyrrolidin-1-yl) hydrogen carbonate?
The IUPAC name of (2-oxopyrrolidin-1-yl) hydrogen carbonate (CID 57473687) is (2-oxopyrrolidin-1-yl) hydrogen carbonate.
What is the SMILES notation for (2-oxopyrrolidin-1-yl) hydrogen carbonate?
The canonical SMILES for (2-oxopyrrolidin-1-yl) hydrogen carbonate is O=C(O)ON1CCCC1=O.
What is the InChIKey of (2-oxopyrrolidin-1-yl) hydrogen carbonate?
The InChIKey is RXPYORFVILTJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO4/c7-4-2-1-3-6(4)10-5(8)9/h1-3H2,(H,8,9).
What are the key properties of (2-oxopyrrolidin-1-yl) hydrogen carbonate?
(2-oxopyrrolidin-1-yl) hydrogen carbonate has a molecular weight of 145.11 g/mol, XLogP of 0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxopyrrolidin-1-yl) hydrogen carbonate is sourced from PubChem (CID 57473687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).