(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(2R)-2-methylmorpholin-4-yl]propan-1-one

C16H24N2O3 — CID 51887065

IUPAC(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(2R)-2-methylmorpholin-4-yl]propan-1-one
SMILESCC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCO[C@H](C)C2)c1C
InChIInChI=1S/C16H24N2O3/c1-9-8-18(6-7-21-9)12(4)16(20)15-10(2)14(13(5)19)11(3)17-15/h9,12,17H,6-8H2,1-5H3/t9-,12-/m1/s1
InChIKeySQURVEBAOARQHZ-BXKDBHETSA-N
MW292.38 g/mol
LogP2.13
Rot. Bonds4

About (2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(2R)-2-methylmorpholin-4-yl]propan-1-one

(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(2R)-2-methylmorpholin-4-yl]propan-1-one (PubChem CID 51887065) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is (2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(2R)-2-methylmorpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(2R)-2-methylmorpholin-4-yl]propan-1-one
PubChem CID51887065
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(2R)-2-methylmorpholin-4-yl]propan-1-one
SMILESCC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCO[C@H](C)C2)c1C
InChIInChI=1S/C16H24N2O3/c1-9-8-18(6-7-21-9)12(4)16(20)15-10(2)14(13(5)19)11(3)17-15/h9,12,17H,6-8H2,1-5H3/t9-,12-/m1/s1
InChIKeySQURVEBAOARQHZ-BXKDBHETSA-N
XLogP2.13
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(2R)-2-methylmorpholin-4-yl]propan-1-one with MolForge

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Launch Full Analysis

Related Compounds

methyl 2,4-dimethyl-5-[(2S)-2-[(2S)-2-methylmorpholin-4-yl]propanoyl]-1H-pyrrole-3-carboxylate
CID 26011276
1-[2,4-dimethyl-5-[(2S)-2-methylmorpholine-4-carbonyl]-1H-pyrrol-3-yl]ethanone
CID 33311355
1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-piperidin-1-ylpropan-1-one
CID 17398141
(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(3S)-3-(2-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 100633534
(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]propan-1-one
CID 40882684
4-[(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl]piperazin-2-one
CID 8549432
ethyl 5-[(2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 25437052
methyl 2,4-dimethyl-5-(2-morpholin-4-ylpropanoyl)-1H-pyrrole-3-carboxylate
CID 17399381
(2S)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propan-1-one
CID 8834885
ethyl 2,4-dimethyl-5-(2-methylmorpholine-4-carbonyl)-1H-pyrrole-3-carboxylate
CID 51293161
methyl 5-[2-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]propanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 56524538
[(2S)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-1-oxopropan-2-yl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 41198091

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(2R)-2-methylmorpholin-4-yl]propan-1-one?
The IUPAC name of (2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(2R)-2-methylmorpholin-4-yl]propan-1-one (CID 51887065) is (2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(2R)-2-methylmorpholin-4-yl]propan-1-one.
What is the SMILES notation for (2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(2R)-2-methylmorpholin-4-yl]propan-1-one?
The canonical SMILES for (2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(2R)-2-methylmorpholin-4-yl]propan-1-one is CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCO[C@H](C)C2)c1C.
What is the InChIKey of (2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(2R)-2-methylmorpholin-4-yl]propan-1-one?
The InChIKey is SQURVEBAOARQHZ-BXKDBHETSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-9-8-18(6-7-21-9)12(4)16(20)15-10(2)14(13(5)19)11(3)17-15/h9,12,17H,6-8H2,1-5H3/t9-,12-/m1/s1.
What are the key properties of (2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(2R)-2-methylmorpholin-4-yl]propan-1-one?
(2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(2R)-2-methylmorpholin-4-yl]propan-1-one has a molecular weight of 292.38 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-[(2R)-2-methylmorpholin-4-yl]propan-1-one is sourced from PubChem (CID 51887065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).