(2S)-3-methoxy-2-methyl-1,2-dihydropyrrol-5-one

C6H9NO2 — CID 10909584

IUPAC(2S)-3-methoxy-2-methyl-1,2-dihydropyrrol-5-one
SMILESCOC1=CC(=O)N[C@H]1C
InChIInChI=1S/C6H9NO2/c1-4-5(9-2)3-6(8)7-4/h3-4H,1-2H3,(H,7,8)/t4-/m0/s1
InChIKeyYJHSJKBMTSQOII-BYPYZUCNSA-N
MW127.14 g/mol
LogP0.04
Rot. Bonds1

About (2S)-3-methoxy-2-methyl-1,2-dihydropyrrol-5-one

(2S)-3-methoxy-2-methyl-1,2-dihydropyrrol-5-one (PubChem CID 10909584) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is (2S)-3-methoxy-2-methyl-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name(2S)-3-methoxy-2-methyl-1,2-dihydropyrrol-5-one
PubChem CID10909584
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name(2S)-3-methoxy-2-methyl-1,2-dihydropyrrol-5-one
SMILESCOC1=CC(=O)N[C@H]1C
InChIInChI=1S/C6H9NO2/c1-4-5(9-2)3-6(8)7-4/h3-4H,1-2H3,(H,7,8)/t4-/m0/s1
InChIKeyYJHSJKBMTSQOII-BYPYZUCNSA-N
XLogP0.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-methoxy-2-methyl-1,2-dihydropyrrol-5-one?
The IUPAC name of (2S)-3-methoxy-2-methyl-1,2-dihydropyrrol-5-one (CID 10909584) is (2S)-3-methoxy-2-methyl-1,2-dihydropyrrol-5-one.
What is the SMILES notation for (2S)-3-methoxy-2-methyl-1,2-dihydropyrrol-5-one?
The canonical SMILES for (2S)-3-methoxy-2-methyl-1,2-dihydropyrrol-5-one is COC1=CC(=O)N[C@H]1C.
What is the InChIKey of (2S)-3-methoxy-2-methyl-1,2-dihydropyrrol-5-one?
The InChIKey is YJHSJKBMTSQOII-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H9NO2/c1-4-5(9-2)3-6(8)7-4/h3-4H,1-2H3,(H,7,8)/t4-/m0/s1.
What are the key properties of (2S)-3-methoxy-2-methyl-1,2-dihydropyrrol-5-one?
(2S)-3-methoxy-2-methyl-1,2-dihydropyrrol-5-one has a molecular weight of 127.14 g/mol, XLogP of 0.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methoxy-2-methyl-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 10909584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).