(1-methyl-5-oxopyrrolidin-3-yl) hydrogen carbonate

C6H9NO4 — CID 66768964

IUPAC(1-methyl-5-oxopyrrolidin-3-yl) hydrogen carbonate
SMILESCN1CC(OC(=O)O)CC1=O
InChIInChI=1S/C6H9NO4/c1-7-3-4(2-5(7)8)11-6(9)10/h4H,2-3H2,1H3,(H,9,10)
InChIKeyCYYFVNAAGPQUJV-UHFFFAOYSA-N
MW159.14 g/mol
LogP-0.09
Rot. Bonds1

About (1-methyl-5-oxopyrrolidin-3-yl) hydrogen carbonate

(1-methyl-5-oxopyrrolidin-3-yl) hydrogen carbonate (PubChem CID 66768964) has the molecular formula C6H9NO4 and a molecular weight of 159.14 g/mol. Its IUPAC name is (1-methyl-5-oxopyrrolidin-3-yl) hydrogen carbonate.

Molecular Properties

Compound Name(1-methyl-5-oxopyrrolidin-3-yl) hydrogen carbonate
PubChem CID66768964
Molecular FormulaC6H9NO4
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC Name(1-methyl-5-oxopyrrolidin-3-yl) hydrogen carbonate
SMILESCN1CC(OC(=O)O)CC1=O
InChIInChI=1S/C6H9NO4/c1-7-3-4(2-5(7)8)11-6(9)10/h4H,2-3H2,1H3,(H,9,10)
InChIKeyCYYFVNAAGPQUJV-UHFFFAOYSA-N
XLogP-0.09
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1-methyl-5-oxopyrrolidin-3-yl) hydrogen carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-methyl-5-oxopyrrolidin-3-yl) hydrogen carbonate?
The IUPAC name of (1-methyl-5-oxopyrrolidin-3-yl) hydrogen carbonate (CID 66768964) is (1-methyl-5-oxopyrrolidin-3-yl) hydrogen carbonate.
What is the SMILES notation for (1-methyl-5-oxopyrrolidin-3-yl) hydrogen carbonate?
The canonical SMILES for (1-methyl-5-oxopyrrolidin-3-yl) hydrogen carbonate is CN1CC(OC(=O)O)CC1=O.
What is the InChIKey of (1-methyl-5-oxopyrrolidin-3-yl) hydrogen carbonate?
The InChIKey is CYYFVNAAGPQUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO4/c1-7-3-4(2-5(7)8)11-6(9)10/h4H,2-3H2,1H3,(H,9,10).
What are the key properties of (1-methyl-5-oxopyrrolidin-3-yl) hydrogen carbonate?
(1-methyl-5-oxopyrrolidin-3-yl) hydrogen carbonate has a molecular weight of 159.14 g/mol, XLogP of -0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-5-oxopyrrolidin-3-yl) hydrogen carbonate is sourced from PubChem (CID 66768964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).