methyl N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamate

C9H16N2O3 — CID 78149244

IUPACmethyl N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamate
SMILESCOC(=O)NC(C)C(=O)N1CCCC1
InChIInChI=1S/C9H16N2O3/c1-7(10-9(13)14-2)8(12)11-5-3-4-6-11/h7H,3-6H2,1-2H3,(H,10,13)
InChIKeyWBTBLDDZTTZCGG-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.35
Rot. Bonds2

About methyl N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamate

methyl N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamate (PubChem CID 78149244) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is methyl N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamate
PubChem CID78149244
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Namemethyl N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamate
SMILESCOC(=O)NC(C)C(=O)N1CCCC1
InChIInChI=1S/C9H16N2O3/c1-7(10-9(13)14-2)8(12)11-5-3-4-6-11/h7H,3-6H2,1-2H3,(H,10,13)
InChIKeyWBTBLDDZTTZCGG-UHFFFAOYSA-N
XLogP0.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamate?
The IUPAC name of methyl N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamate (CID 78149244) is methyl N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamate.
What is the SMILES notation for methyl N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamate?
The canonical SMILES for methyl N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamate is COC(=O)NC(C)C(=O)N1CCCC1.
What is the InChIKey of methyl N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamate?
The InChIKey is WBTBLDDZTTZCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-7(10-9(13)14-2)8(12)11-5-3-4-6-11/h7H,3-6H2,1-2H3,(H,10,13).
What are the key properties of methyl N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamate?
methyl N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamate has a molecular weight of 200.24 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamate is sourced from PubChem (CID 78149244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).