1-(2-bicyclo[2.2.1]heptanyl)-N-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

C22H27N3O2 — CID 42882027

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-N-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C1CC(=O)N(C2CC3CCC2C3)C1
InChIInChI=1S/C22H27N3O2/c26-21-11-17(13-25(21)20-10-14-5-6-15(20)9-14)22(27)23-8-7-16-12-24-19-4-2-1-3-18(16)19/h1-4,12,14-15,17,20,24H,5-11,13H2,(H,23,27)
InChIKeyCXFHRKBHWCANQE-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.86
Rot. Bonds5

About 1-(2-bicyclo[2.2.1]heptanyl)-N-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide

1-(2-bicyclo[2.2.1]heptanyl)-N-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 42882027) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-N-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-N-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID42882027
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-N-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C1CC(=O)N(C2CC3CCC2C3)C1
InChIInChI=1S/C22H27N3O2/c26-21-11-17(13-25(21)20-10-14-5-6-15(20)9-14)22(27)23-8-7-16-12-24-19-4-2-1-3-18(16)19/h1-4,12,14-15,17,20,24H,5-11,13H2,(H,23,27)
InChIKeyCXFHRKBHWCANQE-UHFFFAOYSA-N
XLogP2.86
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-(2-bicyclo[2.2.1]heptanyl)-N-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

(3S)-1-(2-fluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 51572628
(3S)-N-[2-(1H-indol-3-yl)ethyl]-1-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 41131905
1-(2-chlorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113187381
1-(2,6-difluorophenyl)-N-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113192260
N-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 42651962
1-[4-(dimethylamino)phenyl]-N-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113189626
(3R)-N-[2-(1H-indol-3-yl)ethyl]-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7263441
(3S)-N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 39377504
N-[2-(1H-indol-3-yl)ethyl]-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxamide
CID 113182459
4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 112528864
1-(2,5-dimethoxyphenyl)-N-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 42952582
3-amino-N-[2-(1H-indol-3-yl)ethyl]cyclopentane-1-carboxamide
CID 66009623

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 42882027) is 1-(2-bicyclo[2.2.1]heptanyl)-N-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-N-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-N-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is O=C(NCCc1c[nH]c2ccccc12)C1CC(=O)N(C2CC3CCC2C3)C1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-N-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is CXFHRKBHWCANQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c26-21-11-17(13-25(21)20-10-14-5-6-15(20)9-14)22(27)23-8-7-16-12-24-19-4-2-1-3-18(16)19/h1-4,12,14-15,17,20,24H,5-11,13H2,(H,23,27).
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-N-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide?
1-(2-bicyclo[2.2.1]heptanyl)-N-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 365.48 g/mol, XLogP of 2.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-N-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 42882027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).