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

C15H18N2O2 — CID 112627387

IUPAC[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone
SMILESCC(O)C1CCN(C(=O)c2ccc3[nH]ccc3c2)C1
InChIInChI=1S/C15H18N2O2/c1-10(18)13-5-7-17(9-13)15(19)12-2-3-14-11(8-12)4-6-16-14/h2-4,6,8,10,13,16,18H,5,7,9H2,1H3
InChIKeyYFBUFOXQFOWHBN-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.01
Rot. Bonds2

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

[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone (PubChem CID 112627387) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone.

Molecular Properties

Compound Name[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone
PubChem CID112627387
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone
SMILESCC(O)C1CCN(C(=O)c2ccc3[nH]ccc3c2)C1
InChIInChI=1S/C15H18N2O2/c1-10(18)13-5-7-17(9-13)15(19)12-2-3-14-11(8-12)4-6-16-14/h2-4,6,8,10,13,16,18H,5,7,9H2,1H3
InChIKeyYFBUFOXQFOWHBN-UHFFFAOYSA-N
XLogP2.01
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone?
The IUPAC name of [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone (CID 112627387) is [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone.
What is the SMILES notation for [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone?
The canonical SMILES for [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone is CC(O)C1CCN(C(=O)c2ccc3[nH]ccc3c2)C1.
What is the InChIKey of [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone?
The InChIKey is YFBUFOXQFOWHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10(18)13-5-7-17(9-13)15(19)12-2-3-14-11(8-12)4-6-16-14/h2-4,6,8,10,13,16,18H,5,7,9H2,1H3.
What are the key properties of [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone?
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone has a molecular weight of 258.32 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone is sourced from PubChem (CID 112627387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).