(3S)-1-methyl-3-morpholin-4-ylpyrrolidin-2-one

C9H16N2O2 — CID 100664669

IUPAC(3S)-1-methyl-3-morpholin-4-ylpyrrolidin-2-one
SMILESCN1CC[C@H](N2CCOCC2)C1=O
InChIInChI=1S/C9H16N2O2/c1-10-3-2-8(9(10)12)11-4-6-13-7-5-11/h8H,2-7H2,1H3/t8-/m0/s1
InChIKeyHGWIMAGTAVEUBA-QMMMGPOBSA-N
MW184.24 g/mol
LogP-0.45
Rot. Bonds1

About (3S)-1-methyl-3-morpholin-4-ylpyrrolidin-2-one

(3S)-1-methyl-3-morpholin-4-ylpyrrolidin-2-one (PubChem CID 100664669) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is (3S)-1-methyl-3-morpholin-4-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-1-methyl-3-morpholin-4-ylpyrrolidin-2-one
PubChem CID100664669
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name(3S)-1-methyl-3-morpholin-4-ylpyrrolidin-2-one
SMILESCN1CC[C@H](N2CCOCC2)C1=O
InChIInChI=1S/C9H16N2O2/c1-10-3-2-8(9(10)12)11-4-6-13-7-5-11/h8H,2-7H2,1H3/t8-/m0/s1
InChIKeyHGWIMAGTAVEUBA-QMMMGPOBSA-N
XLogP-0.45
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Morpholine, 4-((2-oxo-1-pyrrolidinyl)acetyl)-
CID 746914
2,4-Diamino-1-morpholin-4-yl-butan-1-one
CID 44364253
1-Ethyl-3-morpholinopyrrolidine-2,5-dione
CID 2942382
1-(2-Morpholino-2-oxoethyl)pyrrolidine-2,5-dione
CID 4346381
1-Cyclopentyl-3-(4-morpholinyl)-2,5-pyrrolidinedione
CID 6457912
N-[3-(Morpholin-4-yl)propyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 13594968
2-[4-(2-Ethoxyethyl)-3-ethylpiperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 53596202
2-[4-(2-Ethoxyethyl)-3-methylpiperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 53610261
2-[3-Ethyl-4-(2-methoxyethyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 53610274
1-(1-Morpholin-4-yl-1-oxopropan-2-yl)pyrrolidine-2,5-dione
CID 73357924
3-Morpholino-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 91623574
1-(1-Morpholin-4-yl-1-oxobutan-2-yl)pyrrolidine-2,5-dione
CID 122178891

Frequently Asked Questions

What is the IUPAC name of (3S)-1-methyl-3-morpholin-4-ylpyrrolidin-2-one?
The IUPAC name of (3S)-1-methyl-3-morpholin-4-ylpyrrolidin-2-one (CID 100664669) is (3S)-1-methyl-3-morpholin-4-ylpyrrolidin-2-one.
What is the SMILES notation for (3S)-1-methyl-3-morpholin-4-ylpyrrolidin-2-one?
The canonical SMILES for (3S)-1-methyl-3-morpholin-4-ylpyrrolidin-2-one is CN1CC[C@H](N2CCOCC2)C1=O.
What is the InChIKey of (3S)-1-methyl-3-morpholin-4-ylpyrrolidin-2-one?
The InChIKey is HGWIMAGTAVEUBA-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-10-3-2-8(9(10)12)11-4-6-13-7-5-11/h8H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of (3S)-1-methyl-3-morpholin-4-ylpyrrolidin-2-one?
(3S)-1-methyl-3-morpholin-4-ylpyrrolidin-2-one has a molecular weight of 184.24 g/mol, XLogP of -0.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-methyl-3-morpholin-4-ylpyrrolidin-2-one is sourced from PubChem (CID 100664669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).