ethyl N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)carbamate

C10H16N2O3 — CID 71789223

IUPACethyl N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)carbamate
SMILESCCOC(=O)NC1CC(=O)N(C2CC2)C1
InChIInChI=1S/C10H16N2O3/c1-2-15-10(14)11-7-5-9(13)12(6-7)8-3-4-8/h7-8H,2-6H2,1H3,(H,11,14)
InChIKeyLZWWMEHRSVQAAF-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.50
Rot. Bonds3

About ethyl N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)carbamate

ethyl N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)carbamate (PubChem CID 71789223) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is ethyl N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)carbamate.

Molecular Properties

Compound Nameethyl N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)carbamate
PubChem CID71789223
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Nameethyl N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)carbamate
SMILESCCOC(=O)NC1CC(=O)N(C2CC2)C1
InChIInChI=1S/C10H16N2O3/c1-2-15-10(14)11-7-5-9(13)12(6-7)8-3-4-8/h7-8H,2-6H2,1H3,(H,11,14)
InChIKeyLZWWMEHRSVQAAF-UHFFFAOYSA-N
XLogP0.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)carbamate?
The IUPAC name of ethyl N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)carbamate (CID 71789223) is ethyl N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)carbamate.
What is the SMILES notation for ethyl N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)carbamate?
The canonical SMILES for ethyl N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)carbamate is CCOC(=O)NC1CC(=O)N(C2CC2)C1.
What is the InChIKey of ethyl N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)carbamate?
The InChIKey is LZWWMEHRSVQAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-2-15-10(14)11-7-5-9(13)12(6-7)8-3-4-8/h7-8H,2-6H2,1H3,(H,11,14).
What are the key properties of ethyl N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)carbamate?
ethyl N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)carbamate has a molecular weight of 212.25 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)carbamate is sourced from PubChem (CID 71789223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).