(2R)-2-(2,3-dihydroindol-1-yl)-1-[(3S)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]propan-1-one

C20H25N3O2 — CID 99825605

IUPAC(2R)-2-(2,3-dihydroindol-1-yl)-1-[(3S)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]propan-1-one
SMILESC[C@H](C(=O)N1CCOC[C@@H]1c1cccn1C)N1CCc2ccccc21
InChIInChI=1S/C20H25N3O2/c1-15(22-11-9-16-6-3-4-7-17(16)22)20(24)23-12-13-25-14-19(23)18-8-5-10-21(18)2/h3-8,10,15,19H,9,11-14H2,1-2H3/t15-,19-/m1/s1
InChIKeyMXUNIFIZUAGFHK-DNVCBOLYSA-N
MW339.44 g/mol
LogP2.38
Rot. Bonds3

About (2R)-2-(2,3-dihydroindol-1-yl)-1-[(3S)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]propan-1-one

(2R)-2-(2,3-dihydroindol-1-yl)-1-[(3S)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]propan-1-one (PubChem CID 99825605) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is (2R)-2-(2,3-dihydroindol-1-yl)-1-[(3S)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-(2,3-dihydroindol-1-yl)-1-[(3S)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]propan-1-one
PubChem CID99825605
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name(2R)-2-(2,3-dihydroindol-1-yl)-1-[(3S)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]propan-1-one
SMILESC[C@H](C(=O)N1CCOC[C@@H]1c1cccn1C)N1CCc2ccccc21
InChIInChI=1S/C20H25N3O2/c1-15(22-11-9-16-6-3-4-7-17(16)22)20(24)23-12-13-25-14-19(23)18-8-5-10-21(18)2/h3-8,10,15,19H,9,11-14H2,1-2H3/t15-,19-/m1/s1
InChIKeyMXUNIFIZUAGFHK-DNVCBOLYSA-N
XLogP2.38
TPSA37.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-chlorothiophen-2-yl)-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone
CID 86794066
1-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 138026981
[3-(1-methylpyrrol-2-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
CID 86794071
[3-(1-methylpyrrol-2-yl)morpholin-4-yl]-(3-methylthiophen-2-yl)methanone
CID 86794107
1-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]-3-pyrazol-1-ylpropan-1-one
CID 75508325
(2R)-2-(2,3-dihydroindol-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 9432303
2-(2,3-dihydroindol-1-yl)-N-(5-morpholin-4-yl-2-pyridinyl)propanamide
CID 126768965
2-(2,3-dihydroindol-1-yl)pentan-3-one
CID 64868632
1-[5-[3-(1-methylpyrrol-2-yl)morpholine-4-carbonyl]thiophen-3-yl]ethanone
CID 86794099
(2S)-2-(2,3-dihydroindol-1-yl)-1-[(2R,4S)-4-hydroxy-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]propan-1-one
CID 129326631
(4-ethyl-5-propylthiophen-2-yl)-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]methanone
CID 75523575
(2S)-2-(2,3-dihydroindol-1-yl)-1-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one
CID 129326095

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,3-dihydroindol-1-yl)-1-[(3S)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]propan-1-one?
The IUPAC name of (2R)-2-(2,3-dihydroindol-1-yl)-1-[(3S)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]propan-1-one (CID 99825605) is (2R)-2-(2,3-dihydroindol-1-yl)-1-[(3S)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]propan-1-one.
What is the SMILES notation for (2R)-2-(2,3-dihydroindol-1-yl)-1-[(3S)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]propan-1-one?
The canonical SMILES for (2R)-2-(2,3-dihydroindol-1-yl)-1-[(3S)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]propan-1-one is C[C@H](C(=O)N1CCOC[C@@H]1c1cccn1C)N1CCc2ccccc21.
What is the InChIKey of (2R)-2-(2,3-dihydroindol-1-yl)-1-[(3S)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]propan-1-one?
The InChIKey is MXUNIFIZUAGFHK-DNVCBOLYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15(22-11-9-16-6-3-4-7-17(16)22)20(24)23-12-13-25-14-19(23)18-8-5-10-21(18)2/h3-8,10,15,19H,9,11-14H2,1-2H3/t15-,19-/m1/s1.
What are the key properties of (2R)-2-(2,3-dihydroindol-1-yl)-1-[(3S)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]propan-1-one?
(2R)-2-(2,3-dihydroindol-1-yl)-1-[(3S)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]propan-1-one has a molecular weight of 339.44 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,3-dihydroindol-1-yl)-1-[(3S)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]propan-1-one is sourced from PubChem (CID 99825605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).