N-(2-hydroxyethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide

C8H14N2O3 — CID 43419610

IUPACN-(2-hydroxyethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)NCCO)CC1=O
InChIInChI=1S/C8H14N2O3/c1-10-5-6(4-7(10)12)8(13)9-2-3-11/h6,11H,2-5H2,1H3,(H,9,13)
InChIKeyWVDUKRGVOJCNBY-UHFFFAOYSA-N
MW186.21 g/mol
LogP-1.43
Rot. Bonds3

About N-(2-hydroxyethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide

N-(2-hydroxyethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 43419610) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID43419610
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC NameN-(2-hydroxyethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCN1CC(C(=O)NCCO)CC1=O
InChIInChI=1S/C8H14N2O3/c1-10-5-6(4-7(10)12)8(13)9-2-3-11/h6,11H,2-5H2,1H3,(H,9,13)
InChIKeyWVDUKRGVOJCNBY-UHFFFAOYSA-N
XLogP-1.43
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-1.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide (CID 43419610) is N-(2-hydroxyethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide is CN1CC(C(=O)NCCO)CC1=O.
What is the InChIKey of N-(2-hydroxyethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is WVDUKRGVOJCNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-10-5-6(4-7(10)12)8(13)9-2-3-11/h6,11H,2-5H2,1H3,(H,9,13).
What are the key properties of N-(2-hydroxyethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide?
N-(2-hydroxyethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 186.21 g/mol, XLogP of -1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 43419610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).