(4,5-dichloro-1-methylpyrrol-2-yl)-(3-methylmorpholin-4-yl)methanone

C11H14Cl2N2O2 — CID 47174397

IUPAC(4,5-dichloro-1-methylpyrrol-2-yl)-(3-methylmorpholin-4-yl)methanone
SMILESCC1COCCN1C(=O)c1cc(Cl)c(Cl)n1C
InChIInChI=1S/C11H14Cl2N2O2/c1-7-6-17-4-3-15(7)11(16)9-5-8(12)10(13)14(9)2/h5,7H,3-4,6H2,1-2H3
InChIKeySTNDXWXXHLBXGU-UHFFFAOYSA-N
MW277.15 g/mol
LogP2.19
Rot. Bonds1

About (4,5-dichloro-1-methylpyrrol-2-yl)-(3-methylmorpholin-4-yl)methanone

(4,5-dichloro-1-methylpyrrol-2-yl)-(3-methylmorpholin-4-yl)methanone (PubChem CID 47174397) has the molecular formula C11H14Cl2N2O2 and a molecular weight of 277.15 g/mol. Its IUPAC name is (4,5-dichloro-1-methylpyrrol-2-yl)-(3-methylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name(4,5-dichloro-1-methylpyrrol-2-yl)-(3-methylmorpholin-4-yl)methanone
PubChem CID47174397
Molecular FormulaC11H14Cl2N2O2
Molecular Weight277.15 g/mol
Exact Mass276.04
IUPAC Name(4,5-dichloro-1-methylpyrrol-2-yl)-(3-methylmorpholin-4-yl)methanone
SMILESCC1COCCN1C(=O)c1cc(Cl)c(Cl)n1C
InChIInChI=1S/C11H14Cl2N2O2/c1-7-6-17-4-3-15(7)11(16)9-5-8(12)10(13)14(9)2/h5,7H,3-4,6H2,1-2H3
InChIKeySTNDXWXXHLBXGU-UHFFFAOYSA-N
XLogP2.19
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4,5-dichloro-1-methylpyrrol-2-yl)-[(2R)-2-methylpiperazin-1-yl]methanone
CID 124571060
(4-chloro-1H-pyrrol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 94145769
(4,5-dichloro-1H-pyrrol-2-yl)-(3-methylmorpholin-4-yl)methanone
CID 78862378
1-(4,5-dichloro-1-methylpyrrole-2-carbonyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79363706
(4-amino-2-chlorophenyl)-(3-methylmorpholin-4-yl)methanone
CID 43541599
(5-chloro-1,3,4-thiadiazol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 107856527
(6-amino-5-chloro-3-pyridinyl)-(3-methylmorpholin-4-yl)methanone
CID 55041929
(3,4-difluorophenyl)-(3-methylmorpholin-4-yl)methanone
CID 110292238
(4,5-dichloro-1-methylpyrrol-2-yl)-[(2S)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95301333
(5-chloro-1-benzofuran-2-yl)-(3-methylmorpholin-4-yl)methanone
CID 56811977
(3-chloro-1-methylindol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 94200604
(4-bromo-1-ethylpyrrol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106832479

Frequently Asked Questions

What is the IUPAC name of (4,5-dichloro-1-methylpyrrol-2-yl)-(3-methylmorpholin-4-yl)methanone?
The IUPAC name of (4,5-dichloro-1-methylpyrrol-2-yl)-(3-methylmorpholin-4-yl)methanone (CID 47174397) is (4,5-dichloro-1-methylpyrrol-2-yl)-(3-methylmorpholin-4-yl)methanone.
What is the SMILES notation for (4,5-dichloro-1-methylpyrrol-2-yl)-(3-methylmorpholin-4-yl)methanone?
The canonical SMILES for (4,5-dichloro-1-methylpyrrol-2-yl)-(3-methylmorpholin-4-yl)methanone is CC1COCCN1C(=O)c1cc(Cl)c(Cl)n1C.
What is the InChIKey of (4,5-dichloro-1-methylpyrrol-2-yl)-(3-methylmorpholin-4-yl)methanone?
The InChIKey is STNDXWXXHLBXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2/c1-7-6-17-4-3-15(7)11(16)9-5-8(12)10(13)14(9)2/h5,7H,3-4,6H2,1-2H3.
What are the key properties of (4,5-dichloro-1-methylpyrrol-2-yl)-(3-methylmorpholin-4-yl)methanone?
(4,5-dichloro-1-methylpyrrol-2-yl)-(3-methylmorpholin-4-yl)methanone has a molecular weight of 277.15 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dichloro-1-methylpyrrol-2-yl)-(3-methylmorpholin-4-yl)methanone is sourced from PubChem (CID 47174397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).