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

C18H24N2O3 — CID 110023370

IUPAC1-[5-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-2,3-dihydroindol-1-yl]propan-1-one
SMILESCCC(=O)N1CCc2cc(C(=O)N3CCC(C(C)O)C3)ccc21
InChIInChI=1S/C18H24N2O3/c1-3-17(22)20-9-7-13-10-14(4-5-16(13)20)18(23)19-8-6-15(11-19)12(2)21/h4-5,10,12,15,21H,3,6-9,11H2,1-2H3
InChIKeyDRMBENBSONXUTE-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.83
Rot. Bonds3

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

1-[5-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-2,3-dihydroindol-1-yl]propan-1-one (PubChem CID 110023370) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 1-[5-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-2,3-dihydroindol-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[5-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-2,3-dihydroindol-1-yl]propan-1-one
PubChem CID110023370
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name1-[5-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-2,3-dihydroindol-1-yl]propan-1-one
SMILESCCC(=O)N1CCc2cc(C(=O)N3CCC(C(C)O)C3)ccc21
InChIInChI=1S/C18H24N2O3/c1-3-17(22)20-9-7-13-10-14(4-5-16(13)20)18(23)19-8-6-15(11-19)12(2)21/h4-5,10,12,15,21H,3,6-9,11H2,1-2H3
InChIKeyDRMBENBSONXUTE-UHFFFAOYSA-N
XLogP1.83
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)-2,3-dihydroindol-1-yl]propan-1-one
CID 55981657
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(8-hydroxynaphthalen-2-yl)methanone
CID 166268507
[4-fluoro-3-(methylsulfanylmethyl)phenyl]-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023458
N-[4-(2-methylpropanoylamino)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55787282
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone
CID 112627387
N-(4-hydroxy-2-methylpentyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 111447607
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 112627475
(3-amino-4-nitrophenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115967044
4-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 113364846
(3-fluoro-4-methoxyphenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112627165
1-[5-[hydroxy(pyrrolidin-2-yl)methyl]-2,3-dihydroindol-1-yl]propan-1-one
CID 82340909
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(4-piperidin-1-ylphenyl)methanone
CID 110022880

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-2,3-dihydroindol-1-yl]propan-1-one?
The IUPAC name of 1-[5-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-2,3-dihydroindol-1-yl]propan-1-one (CID 110023370) is 1-[5-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-2,3-dihydroindol-1-yl]propan-1-one.
What is the SMILES notation for 1-[5-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-2,3-dihydroindol-1-yl]propan-1-one?
The canonical SMILES for 1-[5-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-2,3-dihydroindol-1-yl]propan-1-one is CCC(=O)N1CCc2cc(C(=O)N3CCC(C(C)O)C3)ccc21.
What is the InChIKey of 1-[5-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-2,3-dihydroindol-1-yl]propan-1-one?
The InChIKey is DRMBENBSONXUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-3-17(22)20-9-7-13-10-14(4-5-16(13)20)18(23)19-8-6-15(11-19)12(2)21/h4-5,10,12,15,21H,3,6-9,11H2,1-2H3.
What are the key properties of 1-[5-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-2,3-dihydroindol-1-yl]propan-1-one?
1-[5-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-2,3-dihydroindol-1-yl]propan-1-one has a molecular weight of 316.40 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]-2,3-dihydroindol-1-yl]propan-1-one is sourced from PubChem (CID 110023370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).