(2S)-N-ethyl-1-methylpyrrolidine-2-carboxamide

C8H16N2O — CID 54458063

IUPAC(2S)-N-ethyl-1-methylpyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1CCCN1C
InChIInChI=1S/C8H16N2O/c1-3-9-8(11)7-5-4-6-10(7)2/h7H,3-6H2,1-2H3,(H,9,11)/t7-/m0/s1
InChIKeyWZPIJWRQBGULAJ-ZETCQYMHSA-N
MW156.23 g/mol
LogP0.22
Rot. Bonds2

About (2S)-N-ethyl-1-methylpyrrolidine-2-carboxamide

(2S)-N-ethyl-1-methylpyrrolidine-2-carboxamide (PubChem CID 54458063) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is (2S)-N-ethyl-1-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-ethyl-1-methylpyrrolidine-2-carboxamide
PubChem CID54458063
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name(2S)-N-ethyl-1-methylpyrrolidine-2-carboxamide
SMILESCCNC(=O)[C@@H]1CCCN1C
InChIInChI=1S/C8H16N2O/c1-3-9-8(11)7-5-4-6-10(7)2/h7H,3-6H2,1-2H3,(H,9,11)/t7-/m0/s1
InChIKeyWZPIJWRQBGULAJ-ZETCQYMHSA-N
XLogP0.22
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-1-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-ethyl-1-methylpyrrolidine-2-carboxamide (CID 54458063) is (2S)-N-ethyl-1-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-ethyl-1-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-ethyl-1-methylpyrrolidine-2-carboxamide is CCNC(=O)[C@@H]1CCCN1C.
What is the InChIKey of (2S)-N-ethyl-1-methylpyrrolidine-2-carboxamide?
The InChIKey is WZPIJWRQBGULAJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H16N2O/c1-3-9-8(11)7-5-4-6-10(7)2/h7H,3-6H2,1-2H3,(H,9,11)/t7-/m0/s1.
What are the key properties of (2S)-N-ethyl-1-methylpyrrolidine-2-carboxamide?
(2S)-N-ethyl-1-methylpyrrolidine-2-carboxamide has a molecular weight of 156.23 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-1-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 54458063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).