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

C20H27N3O2 — CID 126459734

IUPACN-butan-2-yl-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide
SMILESCCC(C)NC(=O)C1CC2CCCN2C12C(=O)N(C)c1ccccc12
InChIInChI=1S/C20H27N3O2/c1-4-13(2)21-18(24)16-12-14-8-7-11-23(14)20(16)15-9-5-6-10-17(15)22(3)19(20)25/h5-6,9-10,13-14,16H,4,7-8,11-12H2,1-3H3,(H,21,24)
InChIKeyCDISUUREIWQZGT-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.26
Rot. Bonds3

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

N-butan-2-yl-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide (PubChem CID 126459734) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is N-butan-2-yl-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide
PubChem CID126459734
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC NameN-butan-2-yl-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide
SMILESCCC(C)NC(=O)C1CC2CCCN2C12C(=O)N(C)c1ccccc12
InChIInChI=1S/C20H27N3O2/c1-4-13(2)21-18(24)16-12-14-8-7-11-23(14)20(16)15-9-5-6-10-17(15)22(3)19(20)25/h5-6,9-10,13-14,16H,4,7-8,11-12H2,1-3H3,(H,21,24)
InChIKeyCDISUUREIWQZGT-UHFFFAOYSA-N
XLogP2.26
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide?
The IUPAC name of N-butan-2-yl-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide (CID 126459734) is N-butan-2-yl-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide.
What is the SMILES notation for N-butan-2-yl-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide?
The canonical SMILES for N-butan-2-yl-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide is CCC(C)NC(=O)C1CC2CCCN2C12C(=O)N(C)c1ccccc12.
What is the InChIKey of N-butan-2-yl-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide?
The InChIKey is CDISUUREIWQZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-4-13(2)21-18(24)16-12-14-8-7-11-23(14)20(16)15-9-5-6-10-17(15)22(3)19(20)25/h5-6,9-10,13-14,16H,4,7-8,11-12H2,1-3H3,(H,21,24).
What are the key properties of N-butan-2-yl-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide?
N-butan-2-yl-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1'-methyl-2'-oxospiro[1,2,5,6,7,8-hexahydropyrrolizine-3,3'-indole]-2-carboxamide is sourced from PubChem (CID 126459734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).