3-(3-methylmorpholin-4-yl)-1,2-dihydropyrrol-5-one

C9H14N2O2 — CID 150034002

IUPAC3-(3-methylmorpholin-4-yl)-1,2-dihydropyrrol-5-one
SMILESCC1COCCN1C1=CC(=O)NC1
InChIInChI=1S/C9H14N2O2/c1-7-6-13-3-2-11(7)8-4-9(12)10-5-8/h4,7H,2-3,5-6H2,1H3,(H,10,12)
InChIKeyDHWGTHNUTZEJLF-UHFFFAOYSA-N
MW182.22 g/mol
LogP-0.28
Rot. Bonds1

About 3-(3-methylmorpholin-4-yl)-1,2-dihydropyrrol-5-one

3-(3-methylmorpholin-4-yl)-1,2-dihydropyrrol-5-one (PubChem CID 150034002) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-(3-methylmorpholin-4-yl)-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-(3-methylmorpholin-4-yl)-1,2-dihydropyrrol-5-one
PubChem CID150034002
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3-(3-methylmorpholin-4-yl)-1,2-dihydropyrrol-5-one
SMILESCC1COCCN1C1=CC(=O)NC1
InChIInChI=1S/C9H14N2O2/c1-7-6-13-3-2-11(7)8-4-9(12)10-5-8/h4,7H,2-3,5-6H2,1H3,(H,10,12)
InChIKeyDHWGTHNUTZEJLF-UHFFFAOYSA-N
XLogP-0.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Morpholinocrotonamide
CID 70579814
3-(Morpholin-4-ylamino)-1,2-dihydropyrrol-5-one
CID 139223929
3-Morpholin-4-ylpyrrole-2,5-dione
CID 17887767
N-(2-morpholinoethyl)-3-aminocrotonamide
CID 67887672
3-Amino-N-[2-(4-morpholinyl)ethyl]-2-butenamide
CID 67887674
3-Morpholin-4-ylbut-2-enamide
CID 70579815
3-[Bis(2-methoxyethyl)amino]-1,2-dihydropyrrol-5-one
CID 91412316
6-methyl-4-morpholin-4-yl-1H-pyridin-2-one
CID 121400868
(Z)-4-amino-2-(methylamino)-1-[(3R)-3-(methylaminomethyl)morpholin-4-yl]but-2-en-1-one
CID 130179833
(Z)-4-amino-2-(2-hydroxyethylamino)-1-[(3S)-3-methylmorpholin-4-yl]but-2-en-1-one
CID 130180354
(E)-4-[4-(2-methoxyethyl)piperazin-1-yl]-N-propan-2-ylbut-2-enamide
CID 134456965
(Z)-3-amino-1-morpholin-4-ylbut-2-en-1-one
CID 140333365

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylmorpholin-4-yl)-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-(3-methylmorpholin-4-yl)-1,2-dihydropyrrol-5-one (CID 150034002) is 3-(3-methylmorpholin-4-yl)-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-(3-methylmorpholin-4-yl)-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-(3-methylmorpholin-4-yl)-1,2-dihydropyrrol-5-one is CC1COCCN1C1=CC(=O)NC1.
What is the InChIKey of 3-(3-methylmorpholin-4-yl)-1,2-dihydropyrrol-5-one?
The InChIKey is DHWGTHNUTZEJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-7-6-13-3-2-11(7)8-4-9(12)10-5-8/h4,7H,2-3,5-6H2,1H3,(H,10,12).
What are the key properties of 3-(3-methylmorpholin-4-yl)-1,2-dihydropyrrol-5-one?
3-(3-methylmorpholin-4-yl)-1,2-dihydropyrrol-5-one has a molecular weight of 182.22 g/mol, XLogP of -0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylmorpholin-4-yl)-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 150034002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).