N-(3-acetylphenyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide

C23H23N3O3 — CID 22553713

IUPACN-(3-acetylphenyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2CC3CCCN3C23C(=O)Nc2ccccc23)c1
InChIInChI=1S/C23H23N3O3/c1-14(27)15-6-4-7-16(12-15)24-21(28)19-13-17-8-5-11-26(17)23(19)18-9-2-3-10-20(18)25-22(23)29/h2-4,6-7,9-10,12,17,19H,5,8,11,13H2,1H3,(H,24,28)(H,25,29)
InChIKeyWBPPAIRVGAPOJI-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.16
Rot. Bonds3

About N-(3-acetylphenyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide

N-(3-acetylphenyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide (PubChem CID 22553713) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide
PubChem CID22553713
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC NameN-(3-acetylphenyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2CC3CCCN3C23C(=O)Nc2ccccc23)c1
InChIInChI=1S/C23H23N3O3/c1-14(27)15-6-4-7-16(12-15)24-21(28)19-13-17-8-5-11-26(17)23(19)18-9-2-3-10-20(18)25-22(23)29/h2-4,6-7,9-10,12,17,19H,5,8,11,13H2,1H3,(H,24,28)(H,25,29)
InChIKeyWBPPAIRVGAPOJI-UHFFFAOYSA-N
XLogP3.16
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide (CID 22553713) is N-(3-acetylphenyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide is CC(=O)c1cccc(NC(=O)C2CC3CCCN3C23C(=O)Nc2ccccc23)c1.
What is the InChIKey of N-(3-acetylphenyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide?
The InChIKey is WBPPAIRVGAPOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-14(27)15-6-4-7-16(12-15)24-21(28)19-13-17-8-5-11-26(17)23(19)18-9-2-3-10-20(18)25-22(23)29/h2-4,6-7,9-10,12,17,19H,5,8,11,13H2,1H3,(H,24,28)(H,25,29).
What are the key properties of N-(3-acetylphenyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide?
N-(3-acetylphenyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-1H-indole]-2-carboxamide is sourced from PubChem (CID 22553713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).