(1-methyl-5-oxopyrrolidin-3-yl) 2-methylpropyl carbonate

C10H17NO4 — CID 66801892

IUPAC(1-methyl-5-oxopyrrolidin-3-yl) 2-methylpropyl carbonate
SMILESCC(C)COC(=O)OC1CC(=O)N(C)C1
InChIInChI=1S/C10H17NO4/c1-7(2)6-14-10(13)15-8-4-9(12)11(3)5-8/h7-8H,4-6H2,1-3H3
InChIKeyNKLHNYRAMXNWLS-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.03
Rot. Bonds3

About (1-methyl-5-oxopyrrolidin-3-yl) 2-methylpropyl carbonate

(1-methyl-5-oxopyrrolidin-3-yl) 2-methylpropyl carbonate (PubChem CID 66801892) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is (1-methyl-5-oxopyrrolidin-3-yl) 2-methylpropyl carbonate.

Molecular Properties

Compound Name(1-methyl-5-oxopyrrolidin-3-yl) 2-methylpropyl carbonate
PubChem CID66801892
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name(1-methyl-5-oxopyrrolidin-3-yl) 2-methylpropyl carbonate
SMILESCC(C)COC(=O)OC1CC(=O)N(C)C1
InChIInChI=1S/C10H17NO4/c1-7(2)6-14-10(13)15-8-4-9(12)11(3)5-8/h7-8H,4-6H2,1-3H3
InChIKeyNKLHNYRAMXNWLS-UHFFFAOYSA-N
XLogP1.03
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1-methyl-5-oxopyrrolidin-3-yl) 2-methylpropyl 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) 2-methylpropyl carbonate?
The IUPAC name of (1-methyl-5-oxopyrrolidin-3-yl) 2-methylpropyl carbonate (CID 66801892) is (1-methyl-5-oxopyrrolidin-3-yl) 2-methylpropyl carbonate.
What is the SMILES notation for (1-methyl-5-oxopyrrolidin-3-yl) 2-methylpropyl carbonate?
The canonical SMILES for (1-methyl-5-oxopyrrolidin-3-yl) 2-methylpropyl carbonate is CC(C)COC(=O)OC1CC(=O)N(C)C1.
What is the InChIKey of (1-methyl-5-oxopyrrolidin-3-yl) 2-methylpropyl carbonate?
The InChIKey is NKLHNYRAMXNWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-7(2)6-14-10(13)15-8-4-9(12)11(3)5-8/h7-8H,4-6H2,1-3H3.
What are the key properties of (1-methyl-5-oxopyrrolidin-3-yl) 2-methylpropyl carbonate?
(1-methyl-5-oxopyrrolidin-3-yl) 2-methylpropyl carbonate has a molecular weight of 215.25 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-5-oxopyrrolidin-3-yl) 2-methylpropyl carbonate is sourced from PubChem (CID 66801892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).