1-(1H-indol-3-ylmethyl)-5-oxo-N-(2-prop-2-enoxyphenyl)pyrrolidine-2-carboxamide

C23H23N3O3 — CID 91955679

IUPAC1-(1H-indol-3-ylmethyl)-5-oxo-N-(2-prop-2-enoxyphenyl)pyrrolidine-2-carboxamide
SMILESC=CCOc1ccccc1NC(=O)C1CCC(=O)N1Cc1c[nH]c2ccccc12
InChIInChI=1S/C23H23N3O3/c1-2-13-29-21-10-6-5-9-19(21)25-23(28)20-11-12-22(27)26(20)15-16-14-24-18-8-4-3-7-17(16)18/h2-10,14,20,24H,1,11-13,15H2,(H,25,28)
InChIKeyXUTJOLQDVBXYGY-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.86
Rot. Bonds7

About 1-(1H-indol-3-ylmethyl)-5-oxo-N-(2-prop-2-enoxyphenyl)pyrrolidine-2-carboxamide

1-(1H-indol-3-ylmethyl)-5-oxo-N-(2-prop-2-enoxyphenyl)pyrrolidine-2-carboxamide (PubChem CID 91955679) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 1-(1H-indol-3-ylmethyl)-5-oxo-N-(2-prop-2-enoxyphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(1H-indol-3-ylmethyl)-5-oxo-N-(2-prop-2-enoxyphenyl)pyrrolidine-2-carboxamide
PubChem CID91955679
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name1-(1H-indol-3-ylmethyl)-5-oxo-N-(2-prop-2-enoxyphenyl)pyrrolidine-2-carboxamide
SMILESC=CCOc1ccccc1NC(=O)C1CCC(=O)N1Cc1c[nH]c2ccccc12
InChIInChI=1S/C23H23N3O3/c1-2-13-29-21-10-6-5-9-19(21)25-23(28)20-11-12-22(27)26(20)15-16-14-24-18-8-4-3-7-17(16)18/h2-10,14,20,24H,1,11-13,15H2,(H,25,28)
InChIKeyXUTJOLQDVBXYGY-UHFFFAOYSA-N
XLogP3.86
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1H-indol-3-ylmethyl)-5-oxo-N-pyridin-2-ylpyrrolidine-2-carboxamide
CID 91955710
N-(3-carbamoylphenyl)-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91955626
N-(1,3-benzothiazol-2-yl)-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91955809
1-(1H-indol-3-ylmethyl)-5-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 91955823
N-butyl-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91955745
1-(1H-indol-3-ylmethyl)-5-oxo-N-(3-pyrrol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 91955666
1-(1H-indol-3-ylmethyl)-N-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-2-carboxamide
CID 91955773
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91955545
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91955560
1-benzyl-5-oxo-N-(2-phenoxyphenyl)pyrrolidine-2-carboxamide
CID 110426937
1-(1H-indol-3-ylmethyl)-5-oxo-N-[(1-phenylcyclohexyl)methyl]pyrrolidine-2-carboxamide
CID 91955683
N-[3-(2-fluorophenyl)propyl]-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91954585

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-ylmethyl)-5-oxo-N-(2-prop-2-enoxyphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(1H-indol-3-ylmethyl)-5-oxo-N-(2-prop-2-enoxyphenyl)pyrrolidine-2-carboxamide (CID 91955679) is 1-(1H-indol-3-ylmethyl)-5-oxo-N-(2-prop-2-enoxyphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(1H-indol-3-ylmethyl)-5-oxo-N-(2-prop-2-enoxyphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(1H-indol-3-ylmethyl)-5-oxo-N-(2-prop-2-enoxyphenyl)pyrrolidine-2-carboxamide is C=CCOc1ccccc1NC(=O)C1CCC(=O)N1Cc1c[nH]c2ccccc12.
What is the InChIKey of 1-(1H-indol-3-ylmethyl)-5-oxo-N-(2-prop-2-enoxyphenyl)pyrrolidine-2-carboxamide?
The InChIKey is XUTJOLQDVBXYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-2-13-29-21-10-6-5-9-19(21)25-23(28)20-11-12-22(27)26(20)15-16-14-24-18-8-4-3-7-17(16)18/h2-10,14,20,24H,1,11-13,15H2,(H,25,28).
What are the key properties of 1-(1H-indol-3-ylmethyl)-5-oxo-N-(2-prop-2-enoxyphenyl)pyrrolidine-2-carboxamide?
1-(1H-indol-3-ylmethyl)-5-oxo-N-(2-prop-2-enoxyphenyl)pyrrolidine-2-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-ylmethyl)-5-oxo-N-(2-prop-2-enoxyphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 91955679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).