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

C9H15NO4 — CID 68749735

IUPAC(1-butyl-5-oxopyrrolidin-3-yl) hydrogen carbonate
SMILESCCCCN1CC(OC(=O)O)CC1=O
InChIInChI=1S/C9H15NO4/c1-2-3-4-10-6-7(5-8(10)11)14-9(12)13/h7H,2-6H2,1H3,(H,12,13)
InChIKeyWKYLHBQTMYJCTM-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.08
Rot. Bonds4

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

(1-butyl-5-oxopyrrolidin-3-yl) hydrogen carbonate (PubChem CID 68749735) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is (1-butyl-5-oxopyrrolidin-3-yl) hydrogen carbonate.

Molecular Properties

Compound Name(1-butyl-5-oxopyrrolidin-3-yl) hydrogen carbonate
PubChem CID68749735
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name(1-butyl-5-oxopyrrolidin-3-yl) hydrogen carbonate
SMILESCCCCN1CC(OC(=O)O)CC1=O
InChIInChI=1S/C9H15NO4/c1-2-3-4-10-6-7(5-8(10)11)14-9(12)13/h7H,2-6H2,1H3,(H,12,13)
InChIKeyWKYLHBQTMYJCTM-UHFFFAOYSA-N
XLogP1.08
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1-butyl-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-butyl-5-oxopyrrolidin-3-yl) hydrogen carbonate?
The IUPAC name of (1-butyl-5-oxopyrrolidin-3-yl) hydrogen carbonate (CID 68749735) is (1-butyl-5-oxopyrrolidin-3-yl) hydrogen carbonate.
What is the SMILES notation for (1-butyl-5-oxopyrrolidin-3-yl) hydrogen carbonate?
The canonical SMILES for (1-butyl-5-oxopyrrolidin-3-yl) hydrogen carbonate is CCCCN1CC(OC(=O)O)CC1=O.
What is the InChIKey of (1-butyl-5-oxopyrrolidin-3-yl) hydrogen carbonate?
The InChIKey is WKYLHBQTMYJCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-2-3-4-10-6-7(5-8(10)11)14-9(12)13/h7H,2-6H2,1H3,(H,12,13).
What are the key properties of (1-butyl-5-oxopyrrolidin-3-yl) hydrogen carbonate?
(1-butyl-5-oxopyrrolidin-3-yl) hydrogen carbonate has a molecular weight of 201.22 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butyl-5-oxopyrrolidin-3-yl) hydrogen carbonate is sourced from PubChem (CID 68749735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).