1-[5-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]-2,3-dihydroindol-1-yl]propan-1-one

C20H23N3O2 — CID 97025098

IUPAC1-[5-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]-2,3-dihydroindol-1-yl]propan-1-one
SMILESCCC(=O)N1CCc2cc(C(=O)N3CCC[C@@H]3c3ccc[nH]3)ccc21
InChIInChI=1S/C20H23N3O2/c1-2-19(24)22-12-9-14-13-15(7-8-17(14)22)20(25)23-11-4-6-18(23)16-5-3-10-21-16/h3,5,7-8,10,13,18,21H,2,4,6,9,11-12H2,1H3/t18-/m1/s1
InChIKeyFCYKZOCPBXBFKN-GOSISDBHSA-N
MW337.42 g/mol
LogP3.29
Rot. Bonds3

About 1-[5-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]-2,3-dihydroindol-1-yl]propan-1-one

1-[5-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]-2,3-dihydroindol-1-yl]propan-1-one (PubChem CID 97025098) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-[5-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]-2,3-dihydroindol-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[5-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]-2,3-dihydroindol-1-yl]propan-1-one
PubChem CID97025098
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name1-[5-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]-2,3-dihydroindol-1-yl]propan-1-one
SMILESCCC(=O)N1CCc2cc(C(=O)N3CCC[C@@H]3c3ccc[nH]3)ccc21
InChIInChI=1S/C20H23N3O2/c1-2-19(24)22-12-9-14-13-15(7-8-17(14)22)20(25)23-11-4-6-18(23)16-5-3-10-21-16/h3,5,7-8,10,13,18,21H,2,4,6,9,11-12H2,1H3/t18-/m1/s1
InChIKeyFCYKZOCPBXBFKN-GOSISDBHSA-N
XLogP3.29
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromophenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 47176415
3-[2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]benzonitrile
CID 47176526
1H-indol-5-yl-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 63717325
1-[5-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one
CID 55981657
[4-(chloromethyl)phenyl]-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 60948438
(3-amino-5-methoxyphenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 81093488
1-(2,3-dihydro-1H-inden-5-yl)-4-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]butane-1,4-dione
CID 96556481
1-[5-[2-(3-bromophenyl)pyrrolidine-1-carbonyl]-2,3-dihydroindol-1-yl]ethanone
CID 55888947
1-[[4-[2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]phenyl]methyl]pyrrolidine-2,5-dione
CID 47028446
1-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]butane-1,3-dione
CID 60951109
1,2,3,4-tetrahydronaphthalen-2-yl 1-propanoyl-2,3-dihydroindole-5-carboxylate
CID 86890633
(4-fluoro-2-methylphenyl)-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone
CID 115745671

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]-2,3-dihydroindol-1-yl]propan-1-one?
The IUPAC name of 1-[5-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]-2,3-dihydroindol-1-yl]propan-1-one (CID 97025098) is 1-[5-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]-2,3-dihydroindol-1-yl]propan-1-one.
What is the SMILES notation for 1-[5-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]-2,3-dihydroindol-1-yl]propan-1-one?
The canonical SMILES for 1-[5-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]-2,3-dihydroindol-1-yl]propan-1-one is CCC(=O)N1CCc2cc(C(=O)N3CCC[C@@H]3c3ccc[nH]3)ccc21.
What is the InChIKey of 1-[5-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]-2,3-dihydroindol-1-yl]propan-1-one?
The InChIKey is FCYKZOCPBXBFKN-GOSISDBHSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-2-19(24)22-12-9-14-13-15(7-8-17(14)22)20(25)23-11-4-6-18(23)16-5-3-10-21-16/h3,5,7-8,10,13,18,21H,2,4,6,9,11-12H2,1H3/t18-/m1/s1.
What are the key properties of 1-[5-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]-2,3-dihydroindol-1-yl]propan-1-one?
1-[5-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]-2,3-dihydroindol-1-yl]propan-1-one has a molecular weight of 337.42 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidine-1-carbonyl]-2,3-dihydroindol-1-yl]propan-1-one is sourced from PubChem (CID 97025098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).