1-morpholin-4-yl-2-pyrrol-1-ylpropan-1-one

C11H16N2O2 — CID 112690185

IUPAC1-morpholin-4-yl-2-pyrrol-1-ylpropan-1-one
SMILESCC(C(=O)N1CCOCC1)n1cccc1
InChIInChI=1S/C11H16N2O2/c1-10(12-4-2-3-5-12)11(14)13-6-8-15-9-7-13/h2-5,10H,6-9H2,1H3
InChIKeyLUKSACKDTJMJMV-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.91
Rot. Bonds2

About 1-morpholin-4-yl-2-pyrrol-1-ylpropan-1-one

1-morpholin-4-yl-2-pyrrol-1-ylpropan-1-one (PubChem CID 112690185) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-pyrrol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-2-pyrrol-1-ylpropan-1-one
PubChem CID112690185
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-morpholin-4-yl-2-pyrrol-1-ylpropan-1-one
SMILESCC(C(=O)N1CCOCC1)n1cccc1
InChIInChI=1S/C11H16N2O2/c1-10(12-4-2-3-5-12)11(14)13-6-8-15-9-7-13/h2-5,10H,6-9H2,1H3
InChIKeyLUKSACKDTJMJMV-UHFFFAOYSA-N
XLogP0.91
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 4-[3-(1H-pyrrol-1-YL)propanoyl]tetrahydro-1(2H)-pyrazinecarboxylate
CID 46343129
1-(4-Propylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one
CID 46343142
1-(4-Ethylpiperazino)-3-(1H-pyrrol-1-YL)-1-propanone
CID 46343155
2-pyrrol-1-ylethyl (2S,6R)-2,6-dimethylmorpholine-4-carboxylate
CID 172436833
trans-4-ethoxy-1-[2-methyl-2-(1H-pyrrol-1-yl)propanoyl]pyrrolidin-3-ol
CID 91779323
(S)-Methyl 2-(1H-pyrrol-1-yl)propanoate
CID 45082070
2-Methoxy-1-pyrrol-1-ylethanone
CID 69672852
2-[methyl(propan-2-yl)amino]-N-(2-pyrrol-1-ylethyl)acetamide
CID 71980029
Methyl 2-(1H-pyrrol-1-yl)propanoate
CID 14351972
1H-Pyrrole-1-acetic acid, alpha-methyl-, methyl ester, (alphar)-
CID 11378612
N-methyl-N-(2-oxo-2-pyrrol-1-ylethyl)acetamide
CID 164680349
2-(1H-pyrrol-1-yl)-1-(2-(trifluoromethyl)piperidin-1-yl)ethanone
CID 92092449

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-pyrrol-1-ylpropan-1-one?
The IUPAC name of 1-morpholin-4-yl-2-pyrrol-1-ylpropan-1-one (CID 112690185) is 1-morpholin-4-yl-2-pyrrol-1-ylpropan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-2-pyrrol-1-ylpropan-1-one?
The canonical SMILES for 1-morpholin-4-yl-2-pyrrol-1-ylpropan-1-one is CC(C(=O)N1CCOCC1)n1cccc1.
What is the InChIKey of 1-morpholin-4-yl-2-pyrrol-1-ylpropan-1-one?
The InChIKey is LUKSACKDTJMJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-10(12-4-2-3-5-12)11(14)13-6-8-15-9-7-13/h2-5,10H,6-9H2,1H3.
What are the key properties of 1-morpholin-4-yl-2-pyrrol-1-ylpropan-1-one?
1-morpholin-4-yl-2-pyrrol-1-ylpropan-1-one has a molecular weight of 208.26 g/mol, XLogP of 0.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-pyrrol-1-ylpropan-1-one is sourced from PubChem (CID 112690185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).