(5E)-5-ethylidene-4-(2-hydroxyethyl)-1-[2-(1H-indol-3-yl)ethyl]piperidin-2-one

C19H24N2O2 — CID 50901284

IUPAC(5E)-5-ethylidene-4-(2-hydroxyethyl)-1-[2-(1H-indol-3-yl)ethyl]piperidin-2-one
SMILESC/C=C1/CN(CCc2c[nH]c3ccccc23)C(=O)CC1CCO
InChIInChI=1S/C19H24N2O2/c1-2-14-13-21(19(23)11-15(14)8-10-22)9-7-16-12-20-18-6-4-3-5-17(16)18/h2-6,12,15,20,22H,7-11,13H2,1H3/b14-2-
InChIKeyPGGONBYFHLHLLE-VVHNFQOZSA-N
MW312.41 g/mol
LogP2.89
Rot. Bonds5

About (5E)-5-ethylidene-4-(2-hydroxyethyl)-1-[2-(1H-indol-3-yl)ethyl]piperidin-2-one

(5E)-5-ethylidene-4-(2-hydroxyethyl)-1-[2-(1H-indol-3-yl)ethyl]piperidin-2-one (PubChem CID 50901284) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is (5E)-5-ethylidene-4-(2-hydroxyethyl)-1-[2-(1H-indol-3-yl)ethyl]piperidin-2-one.

Molecular Properties

Compound Name(5E)-5-ethylidene-4-(2-hydroxyethyl)-1-[2-(1H-indol-3-yl)ethyl]piperidin-2-one
PubChem CID50901284
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name(5E)-5-ethylidene-4-(2-hydroxyethyl)-1-[2-(1H-indol-3-yl)ethyl]piperidin-2-one
SMILESC/C=C1/CN(CCc2c[nH]c3ccccc23)C(=O)CC1CCO
InChIInChI=1S/C19H24N2O2/c1-2-14-13-21(19(23)11-15(14)8-10-22)9-7-16-12-20-18-6-4-3-5-17(16)18/h2-6,12,15,20,22H,7-11,13H2,1H3/b14-2-
InChIKeyPGGONBYFHLHLLE-VVHNFQOZSA-N
XLogP2.89
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-ethenyl-1-[2-(1H-indol-3-yl)ethyl]pyrrolidin-2-one
CID 168685303
(3S)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 6967212
1-[2-(1H-indol-3-yl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 113184900
2-(1H-indol-3-yl)ethanol;nitrous acid
CID 162624024
N-(3,4-dimethylphenyl)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 46172106
1-[2-(1H-indol-3-yl)ethyl]-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113184907
N-(2,3-dimethylphenyl)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184916
methyl (4aS,8aS)-2-[2-(1H-indol-3-yl)ethyl]-3-oxo-1,4,4a,7,8,8a-hexahydroisoquinoline-5-carboxylate
CID 11131923
N-[(3R)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-4-(1H-indol-3-yl)butanamide
CID 95712428
O-ethyl [(4aS,5R,8aS)-2-[2-(1H-indol-3-yl)ethyl]-3-oxo-1,4,4a,5,6,7,8,8a-octahydroisoquinolin-5-yl]sulfanylmethanethioate
CID 11200876
N-(furan-2-ylmethyl)-1-[2-(1H-indol-3-yl)ethyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 42882017
N-(4-cyanophenyl)-1-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184948

Frequently Asked Questions

What is the IUPAC name of (5E)-5-ethylidene-4-(2-hydroxyethyl)-1-[2-(1H-indol-3-yl)ethyl]piperidin-2-one?
The IUPAC name of (5E)-5-ethylidene-4-(2-hydroxyethyl)-1-[2-(1H-indol-3-yl)ethyl]piperidin-2-one (CID 50901284) is (5E)-5-ethylidene-4-(2-hydroxyethyl)-1-[2-(1H-indol-3-yl)ethyl]piperidin-2-one.
What is the SMILES notation for (5E)-5-ethylidene-4-(2-hydroxyethyl)-1-[2-(1H-indol-3-yl)ethyl]piperidin-2-one?
The canonical SMILES for (5E)-5-ethylidene-4-(2-hydroxyethyl)-1-[2-(1H-indol-3-yl)ethyl]piperidin-2-one is C/C=C1/CN(CCc2c[nH]c3ccccc23)C(=O)CC1CCO.
What is the InChIKey of (5E)-5-ethylidene-4-(2-hydroxyethyl)-1-[2-(1H-indol-3-yl)ethyl]piperidin-2-one?
The InChIKey is PGGONBYFHLHLLE-VVHNFQOZSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-2-14-13-21(19(23)11-15(14)8-10-22)9-7-16-12-20-18-6-4-3-5-17(16)18/h2-6,12,15,20,22H,7-11,13H2,1H3/b14-2-.
What are the key properties of (5E)-5-ethylidene-4-(2-hydroxyethyl)-1-[2-(1H-indol-3-yl)ethyl]piperidin-2-one?
(5E)-5-ethylidene-4-(2-hydroxyethyl)-1-[2-(1H-indol-3-yl)ethyl]piperidin-2-one has a molecular weight of 312.41 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-ethylidene-4-(2-hydroxyethyl)-1-[2-(1H-indol-3-yl)ethyl]piperidin-2-one is sourced from PubChem (CID 50901284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).