N-cyclopentyl-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide

C21H27N3O2 — CID 126459729

IUPACN-cyclopentyl-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide
SMILESCN1C(=O)C2(c3ccccc31)C(C(=O)NC1CCCC1)CC1CCCN12
InChIInChI=1S/C21H27N3O2/c1-23-18-11-5-4-10-16(18)21(20(23)26)17(13-15-9-6-12-24(15)21)19(25)22-14-7-2-3-8-14/h4-5,10-11,14-15,17H,2-3,6-9,12-13H2,1H3,(H,22,25)
InChIKeyCVEUAWVQIHCRFG-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.40
Rot. Bonds2

About N-cyclopentyl-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide

N-cyclopentyl-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide (PubChem CID 126459729) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-cyclopentyl-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide
PubChem CID126459729
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC NameN-cyclopentyl-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide
SMILESCN1C(=O)C2(c3ccccc31)C(C(=O)NC1CCCC1)CC1CCCN12
InChIInChI=1S/C21H27N3O2/c1-23-18-11-5-4-10-16(18)21(20(23)26)17(13-15-9-6-12-24(15)21)19(25)22-14-7-2-3-8-14/h4-5,10-11,14-15,17H,2-3,6-9,12-13H2,1H3,(H,22,25)
InChIKeyCVEUAWVQIHCRFG-UHFFFAOYSA-N
XLogP2.40
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide?
The IUPAC name of N-cyclopentyl-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide (CID 126459729) is N-cyclopentyl-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide.
What is the SMILES notation for N-cyclopentyl-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide?
The canonical SMILES for N-cyclopentyl-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide is CN1C(=O)C2(c3ccccc31)C(C(=O)NC1CCCC1)CC1CCCN12.
What is the InChIKey of N-cyclopentyl-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide?
The InChIKey is CVEUAWVQIHCRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-23-18-11-5-4-10-16(18)21(20(23)26)17(13-15-9-6-12-24(15)21)19(25)22-14-7-2-3-8-14/h4-5,10-11,14-15,17H,2-3,6-9,12-13H2,1H3,(H,22,25).
What are the key properties of N-cyclopentyl-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide?
N-cyclopentyl-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide is sourced from PubChem (CID 126459729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).