N-(1,2-dimethylcyclopropyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide;ethane

C12H22N2O3 — CID 142438432

IUPACN-(1,2-dimethylcyclopropyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide;ethane
SMILESCC.CC1CC1(C)NC(=O)C1C(=O)NCC1O
InChIInChI=1S/C10H16N2O3.C2H6/c1-5-3-10(5,2)12-9(15)7-6(13)4-11-8(7)14;1-2/h5-7,13H,3-4H2,1-2H3,(H,11,14)(H,12,15);1-2H3
InChIKeyPPOXWYLRPNANRA-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.03
Rot. Bonds2

About N-(1,2-dimethylcyclopropyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide;ethane

N-(1,2-dimethylcyclopropyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide;ethane (PubChem CID 142438432) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is N-(1,2-dimethylcyclopropyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide;ethane.

Molecular Properties

Compound NameN-(1,2-dimethylcyclopropyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide;ethane
PubChem CID142438432
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC NameN-(1,2-dimethylcyclopropyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide;ethane
SMILESCC.CC1CC1(C)NC(=O)C1C(=O)NCC1O
InChIInChI=1S/C10H16N2O3.C2H6/c1-5-3-10(5,2)12-9(15)7-6(13)4-11-8(7)14;1-2/h5-7,13H,3-4H2,1-2H3,(H,11,14)(H,12,15);1-2H3
InChIKeyPPOXWYLRPNANRA-UHFFFAOYSA-N
XLogP0.03
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-dimethylcyclopropyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide;ethane?
The IUPAC name of N-(1,2-dimethylcyclopropyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide;ethane (CID 142438432) is N-(1,2-dimethylcyclopropyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide;ethane.
What is the SMILES notation for N-(1,2-dimethylcyclopropyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide;ethane?
The canonical SMILES for N-(1,2-dimethylcyclopropyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide;ethane is CC.CC1CC1(C)NC(=O)C1C(=O)NCC1O.
What is the InChIKey of N-(1,2-dimethylcyclopropyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide;ethane?
The InChIKey is PPOXWYLRPNANRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3.C2H6/c1-5-3-10(5,2)12-9(15)7-6(13)4-11-8(7)14;1-2/h5-7,13H,3-4H2,1-2H3,(H,11,14)(H,12,15);1-2H3.
What are the key properties of N-(1,2-dimethylcyclopropyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide;ethane?
N-(1,2-dimethylcyclopropyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide;ethane has a molecular weight of 242.32 g/mol, XLogP of 0.03, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dimethylcyclopropyl)-4-hydroxy-2-oxopyrrolidine-3-carboxamide;ethane is sourced from PubChem (CID 142438432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).