1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-(1H-indol-5-yl)propan-1-one

C17H22N2O2 — CID 110023702

IUPAC1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-(1H-indol-5-yl)propan-1-one
SMILESCC(O)C1CCN(C(=O)CCc2ccc3[nH]ccc3c2)C1
InChIInChI=1S/C17H22N2O2/c1-12(20)15-7-9-19(11-15)17(21)5-3-13-2-4-16-14(10-13)6-8-18-16/h2,4,6,8,10,12,15,18,20H,3,5,7,9,11H2,1H3
InChIKeyOEDXJODIFVETKU-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.33
Rot. Bonds4

About 1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-(1H-indol-5-yl)propan-1-one

1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-(1H-indol-5-yl)propan-1-one (PubChem CID 110023702) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-(1H-indol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-(1H-indol-5-yl)propan-1-one
PubChem CID110023702
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-(1H-indol-5-yl)propan-1-one
SMILESCC(O)C1CCN(C(=O)CCc2ccc3[nH]ccc3c2)C1
InChIInChI=1S/C17H22N2O2/c1-12(20)15-7-9-19(11-15)17(21)5-3-13-2-4-16-14(10-13)6-8-18-16/h2,4,6,8,10,12,15,18,20H,3,5,7,9,11H2,1H3
InChIKeyOEDXJODIFVETKU-UHFFFAOYSA-N
XLogP2.33
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone
CID 112627387
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 115966191
1-[3-(1H-indol-5-yl)propanoyl]piperidine-3-carboxylic acid
CID 120512524
3-(3-aminophenyl)-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propan-1-one
CID 112623821
1-[3-[4-(1-hydroxyethyl)triazol-1-yl]azetidin-1-yl]-3-(1H-indol-5-yl)propan-1-one
CID 154752193
1-(1H-indol-5-yl)-4-methylpentan-3-one
CID 22572822
ethyl 3-(1H-indol-5-yl)propanoate
CID 73357468
3-(1H-indol-5-yl)-1-[2-(1H-pyrazol-4-yl)morpholin-4-yl]propan-1-one
CID 166307850
3-(4-tert-butylphenyl)-1-[4-(1-hydroxyethyl)piperidin-1-yl]propan-1-one
CID 112537676
3-(1H-indol-5-yl)-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 75444249
5-[3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-oxopropyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136968769
3-[3-(1H-indol-5-yl)propanoylamino]butanoic acid
CID 120522675

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-(1H-indol-5-yl)propan-1-one?
The IUPAC name of 1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-(1H-indol-5-yl)propan-1-one (CID 110023702) is 1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-(1H-indol-5-yl)propan-1-one.
What is the SMILES notation for 1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-(1H-indol-5-yl)propan-1-one?
The canonical SMILES for 1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-(1H-indol-5-yl)propan-1-one is CC(O)C1CCN(C(=O)CCc2ccc3[nH]ccc3c2)C1.
What is the InChIKey of 1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-(1H-indol-5-yl)propan-1-one?
The InChIKey is OEDXJODIFVETKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12(20)15-7-9-19(11-15)17(21)5-3-13-2-4-16-14(10-13)6-8-18-16/h2,4,6,8,10,12,15,18,20H,3,5,7,9,11H2,1H3.
What are the key properties of 1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-(1H-indol-5-yl)propan-1-one?
1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-(1H-indol-5-yl)propan-1-one has a molecular weight of 286.38 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-(1H-indol-5-yl)propan-1-one is sourced from PubChem (CID 110023702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).