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

C10H17NO4 — CID 66801750

IUPAC(1-butyl-5-oxopyrrolidin-3-yl) methyl carbonate
SMILESCCCCN1CC(OC(=O)OC)CC1=O
InChIInChI=1S/C10H17NO4/c1-3-4-5-11-7-8(6-9(11)12)15-10(13)14-2/h8H,3-7H2,1-2H3
InChIKeyNWPJVUIEFBSTII-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.17
Rot. Bonds4

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

(1-butyl-5-oxopyrrolidin-3-yl) methyl carbonate (PubChem CID 66801750) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is (1-butyl-5-oxopyrrolidin-3-yl) methyl carbonate.

Molecular Properties

Compound Name(1-butyl-5-oxopyrrolidin-3-yl) methyl carbonate
PubChem CID66801750
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name(1-butyl-5-oxopyrrolidin-3-yl) methyl carbonate
SMILESCCCCN1CC(OC(=O)OC)CC1=O
InChIInChI=1S/C10H17NO4/c1-3-4-5-11-7-8(6-9(11)12)15-10(13)14-2/h8H,3-7H2,1-2H3
InChIKeyNWPJVUIEFBSTII-UHFFFAOYSA-N
XLogP1.17
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-butyl-5-oxopyrrolidin-3-yl) methyl carbonate?
The IUPAC name of (1-butyl-5-oxopyrrolidin-3-yl) methyl carbonate (CID 66801750) is (1-butyl-5-oxopyrrolidin-3-yl) methyl carbonate.
What is the SMILES notation for (1-butyl-5-oxopyrrolidin-3-yl) methyl carbonate?
The canonical SMILES for (1-butyl-5-oxopyrrolidin-3-yl) methyl carbonate is CCCCN1CC(OC(=O)OC)CC1=O.
What is the InChIKey of (1-butyl-5-oxopyrrolidin-3-yl) methyl carbonate?
The InChIKey is NWPJVUIEFBSTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-3-4-5-11-7-8(6-9(11)12)15-10(13)14-2/h8H,3-7H2,1-2H3.
What are the key properties of (1-butyl-5-oxopyrrolidin-3-yl) methyl carbonate?
(1-butyl-5-oxopyrrolidin-3-yl) methyl carbonate has a molecular weight of 215.25 g/mol, XLogP of 1.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butyl-5-oxopyrrolidin-3-yl) methyl carbonate is sourced from PubChem (CID 66801750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).