(2S)-N-methyl-5-oxopyrrolidine-2-carboxamide;molecular hydrogen

C6H14N2O2 — CID 159147898

IUPAC(2S)-N-methyl-5-oxopyrrolidine-2-carboxamide;molecular hydrogen
SMILESCNC(=O)[C@@H]1CCC(=O)N1.[H][H].[H][H]
InChIInChI=1S/C6H10N2O2.2H2/c1-7-6(10)4-2-3-5(9)8-4;;/h4H,2-3H2,1H3,(H,7,10)(H,8,9);2*1H/t4-;;/m0../s1
InChIKeyKIXMMDIFVOIVMW-FHNDMYTFSA-N
MW146.19 g/mol
LogP-0.50
Rot. Bonds1

About (2S)-N-methyl-5-oxopyrrolidine-2-carboxamide;molecular hydrogen

(2S)-N-methyl-5-oxopyrrolidine-2-carboxamide;molecular hydrogen (PubChem CID 159147898) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is (2S)-N-methyl-5-oxopyrrolidine-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name(2S)-N-methyl-5-oxopyrrolidine-2-carboxamide;molecular hydrogen
PubChem CID159147898
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Name(2S)-N-methyl-5-oxopyrrolidine-2-carboxamide;molecular hydrogen
SMILESCNC(=O)[C@@H]1CCC(=O)N1.[H][H].[H][H]
InChIInChI=1S/C6H10N2O2.2H2/c1-7-6(10)4-2-3-5(9)8-4;;/h4H,2-3H2,1H3,(H,7,10)(H,8,9);2*1H/t4-;;/m0../s1
InChIKeyKIXMMDIFVOIVMW-FHNDMYTFSA-N
XLogP-0.50
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-5-oxopyrrolidine-2-carboxamide;molecular hydrogen?
The IUPAC name of (2S)-N-methyl-5-oxopyrrolidine-2-carboxamide;molecular hydrogen (CID 159147898) is (2S)-N-methyl-5-oxopyrrolidine-2-carboxamide;molecular hydrogen.
What is the SMILES notation for (2S)-N-methyl-5-oxopyrrolidine-2-carboxamide;molecular hydrogen?
The canonical SMILES for (2S)-N-methyl-5-oxopyrrolidine-2-carboxamide;molecular hydrogen is CNC(=O)[C@@H]1CCC(=O)N1.[H][H].[H][H].
What is the InChIKey of (2S)-N-methyl-5-oxopyrrolidine-2-carboxamide;molecular hydrogen?
The InChIKey is KIXMMDIFVOIVMW-FHNDMYTFSA-N. The full InChI is InChI=1S/C6H10N2O2.2H2/c1-7-6(10)4-2-3-5(9)8-4;;/h4H,2-3H2,1H3,(H,7,10)(H,8,9);2*1H/t4-;;/m0../s1.
What are the key properties of (2S)-N-methyl-5-oxopyrrolidine-2-carboxamide;molecular hydrogen?
(2S)-N-methyl-5-oxopyrrolidine-2-carboxamide;molecular hydrogen has a molecular weight of 146.19 g/mol, XLogP of -0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-5-oxopyrrolidine-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 159147898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).