2-[(2S)-1-acetylpyrrolidin-2-yl]-N-methylacetamide

C9H16N2O2 — CID 122363545

IUPAC2-[(2S)-1-acetylpyrrolidin-2-yl]-N-methylacetamide
SMILESCNC(=O)C[C@@H]1CCCN1C(C)=O
InChIInChI=1S/C9H16N2O2/c1-7(12)11-5-3-4-8(11)6-9(13)10-2/h8H,3-6H2,1-2H3,(H,10,13)/t8-/m0/s1
InChIKeyFMCFWIFGZFAVPH-QMMMGPOBSA-N
MW184.24 g/mol
LogP0.13
Rot. Bonds2

About 2-[(2S)-1-acetylpyrrolidin-2-yl]-N-methylacetamide

2-[(2S)-1-acetylpyrrolidin-2-yl]-N-methylacetamide (PubChem CID 122363545) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-[(2S)-1-acetylpyrrolidin-2-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2S)-1-acetylpyrrolidin-2-yl]-N-methylacetamide
PubChem CID122363545
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name2-[(2S)-1-acetylpyrrolidin-2-yl]-N-methylacetamide
SMILESCNC(=O)C[C@@H]1CCCN1C(C)=O
InChIInChI=1S/C9H16N2O2/c1-7(12)11-5-3-4-8(11)6-9(13)10-2/h8H,3-6H2,1-2H3,(H,10,13)/t8-/m0/s1
InChIKeyFMCFWIFGZFAVPH-QMMMGPOBSA-N
XLogP0.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-acetylpyrrolidin-2-yl]-N-methylacetamide?
The IUPAC name of 2-[(2S)-1-acetylpyrrolidin-2-yl]-N-methylacetamide (CID 122363545) is 2-[(2S)-1-acetylpyrrolidin-2-yl]-N-methylacetamide.
What is the SMILES notation for 2-[(2S)-1-acetylpyrrolidin-2-yl]-N-methylacetamide?
The canonical SMILES for 2-[(2S)-1-acetylpyrrolidin-2-yl]-N-methylacetamide is CNC(=O)C[C@@H]1CCCN1C(C)=O.
What is the InChIKey of 2-[(2S)-1-acetylpyrrolidin-2-yl]-N-methylacetamide?
The InChIKey is FMCFWIFGZFAVPH-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-7(12)11-5-3-4-8(11)6-9(13)10-2/h8H,3-6H2,1-2H3,(H,10,13)/t8-/m0/s1.
What are the key properties of 2-[(2S)-1-acetylpyrrolidin-2-yl]-N-methylacetamide?
2-[(2S)-1-acetylpyrrolidin-2-yl]-N-methylacetamide has a molecular weight of 184.24 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-acetylpyrrolidin-2-yl]-N-methylacetamide is sourced from PubChem (CID 122363545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).