1-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]ethanone

C8H16N2O — CID 66569273

IUPAC1-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
SMILESCNC[C@@H]1CCCN1C(C)=O
InChIInChI=1S/C8H16N2O/c1-7(11)10-5-3-4-8(10)6-9-2/h8-9H,3-6H2,1-2H3/t8-/m0/s1
InChIKeyWRQOURKKKAIAPX-QMMMGPOBSA-N
MW156.23 g/mol
LogP0.22
Rot. Bonds2

About 1-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]ethanone

1-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]ethanone (PubChem CID 66569273) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
PubChem CID66569273
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
SMILESCNC[C@@H]1CCCN1C(C)=O
InChIInChI=1S/C8H16N2O/c1-7(11)10-5-3-4-8(10)6-9-2/h8-9H,3-6H2,1-2H3/t8-/m0/s1
InChIKeyWRQOURKKKAIAPX-QMMMGPOBSA-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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Related Compounds

1-[(2R)-2-(methylaminomethyl)piperidin-1-yl]ethanone
CID 95037259
1-[2-[[(1-acetylpyrrolidin-2-yl)amino]methyl]pyrrolidin-1-yl]ethanone
CID 90723463
3-methyl-1-[2-(methylaminomethyl)piperidin-1-yl]but-2-en-1-one
CID 63249341
2-[[(2R)-1-acetylpyrrolidin-2-yl]methylamino]acetic acid
CID 96553108
1-[2-(methylaminomethyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 115316297
2-cyclopentyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 81425480
N-cyclopentyl-2-(methylaminomethyl)pyrrolidine-1-carboxamide
CID 115316412
cyclopent-3-en-1-yl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 115316381
tert-butyl 2-(methylaminomethyl)pyrrolidine-1-carboxylate;ethane
CID 166086054
3,3,3-trifluoro-1-[2-(methylaminomethyl)pyrrolidin-1-yl]propan-1-one
CID 81484577
6-bicyclo[3.1.0]hexanyl-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119649432
N-[[(2S)-1-acetylpyrrolidin-2-yl]methyl]-2,2,2-trifluoroacetamide
CID 143059695

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]ethanone (CID 66569273) is 1-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]ethanone is CNC[C@@H]1CCCN1C(C)=O.
What is the InChIKey of 1-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is WRQOURKKKAIAPX-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H16N2O/c1-7(11)10-5-3-4-8(10)6-9-2/h8-9H,3-6H2,1-2H3/t8-/m0/s1.
What are the key properties of 1-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]ethanone?
1-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]ethanone 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 1-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 66569273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).