1-morpholin-4-yl-2-(1H-pyrrol-2-yl)ethane-1,2-dione

C10H12N2O3 — CID 130012394

IUPAC1-morpholin-4-yl-2-(1H-pyrrol-2-yl)ethane-1,2-dione
SMILESO=C(C(=O)N1CCOCC1)c1ccc[nH]1
InChIInChI=1S/C10H12N2O3/c13-9(8-2-1-3-11-8)10(14)12-4-6-15-7-5-12/h1-3,11H,4-7H2
InChIKeyAGWQIPQIHRPMHM-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.06
Rot. Bonds2

About 1-morpholin-4-yl-2-(1H-pyrrol-2-yl)ethane-1,2-dione

1-morpholin-4-yl-2-(1H-pyrrol-2-yl)ethane-1,2-dione (PubChem CID 130012394) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-(1H-pyrrol-2-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-morpholin-4-yl-2-(1H-pyrrol-2-yl)ethane-1,2-dione
PubChem CID130012394
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name1-morpholin-4-yl-2-(1H-pyrrol-2-yl)ethane-1,2-dione
SMILESO=C(C(=O)N1CCOCC1)c1ccc[nH]1
InChIInChI=1S/C10H12N2O3/c13-9(8-2-1-3-11-8)10(14)12-4-6-15-7-5-12/h1-3,11H,4-7H2
InChIKeyAGWQIPQIHRPMHM-UHFFFAOYSA-N
XLogP0.06
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-(4-fluorophenyl)-2-morpholin-4-ylethane-1,2-dione
CID 82116829
6-(morpholine-4-carbonyl)-1H-pyridin-2-one
CID 107261416
morpholin-4-yl-[(3R)-1-[1-(1H-pyrrole-2-carbonyl)piperidin-4-yl]piperidin-3-yl]methanone
CID 95560901
2-(3,3-dimethylmorpholin-4-yl)-1-(1H-pyrrol-2-yl)ethanone
CID 61432659
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-pyrrol-2-yl)ethane-1,2-dione
CID 53011678
(4-phenylpiperazin-1-yl)-(1H-pyrrol-2-yl)methanone
CID 51210665
[(6S)-8-methylsulfonyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl]-(1H-pyrrol-2-yl)methanone
CID 97398456
bis(2,5-diphenylbenzene-1,4-diol);bis(1-morpholin-4-yl-2-phenylethane-1,2-dione)
CID 139194609
(2Z)-1-morpholin-4-yl-2-(1-phenylethylidene)butane-1,3-dione
CID 11380289
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-[4-(1H-pyrrole-2-carbonyl)piperazin-1-yl]methanone
CID 110815094
(2-amino-1H-pyrrol-3-yl)-morpholin-4-ylmethanone
CID 117213589
1-(1-methyl-2-phenylindol-3-yl)-2-morpholin-4-ylethane-1,2-dione
CID 5296340

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-(1H-pyrrol-2-yl)ethane-1,2-dione?
The IUPAC name of 1-morpholin-4-yl-2-(1H-pyrrol-2-yl)ethane-1,2-dione (CID 130012394) is 1-morpholin-4-yl-2-(1H-pyrrol-2-yl)ethane-1,2-dione.
What is the SMILES notation for 1-morpholin-4-yl-2-(1H-pyrrol-2-yl)ethane-1,2-dione?
The canonical SMILES for 1-morpholin-4-yl-2-(1H-pyrrol-2-yl)ethane-1,2-dione is O=C(C(=O)N1CCOCC1)c1ccc[nH]1.
What is the InChIKey of 1-morpholin-4-yl-2-(1H-pyrrol-2-yl)ethane-1,2-dione?
The InChIKey is AGWQIPQIHRPMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c13-9(8-2-1-3-11-8)10(14)12-4-6-15-7-5-12/h1-3,11H,4-7H2.
What are the key properties of 1-morpholin-4-yl-2-(1H-pyrrol-2-yl)ethane-1,2-dione?
1-morpholin-4-yl-2-(1H-pyrrol-2-yl)ethane-1,2-dione has a molecular weight of 208.22 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-(1H-pyrrol-2-yl)ethane-1,2-dione is sourced from PubChem (CID 130012394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).