N-[1-(2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl)-4-methyl-1-oxopentan-2-yl]-N-methyl-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrole-2-carboxamide

C30H35N5O3 — CID 167077535

About N-[1-(2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl)-4-methyl-1-oxopentan-2-yl]-N-methyl-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrole-2-carboxamide

N-[1-(2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl)-4-methyl-1-oxopentan-2-yl]-N-methyl-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrole-2-carboxamide (PubChem CID 167077535) has the molecular formula C30H35N5O3 and a molecular weight of 513.64 g/mol. Its IUPAC name is N-[1-(2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl)-4-methyl-1-oxopentan-2-yl]-N-methyl-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-(2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl)-4-methyl-1-oxopentan-2-yl]-N-methyl-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrole-2-carboxamide
• PubChem CID: 167077535
• Molecular Formula: C30H35N5O3
• Molecular Weight: 513.64 g/mol
• Exact Mass: 513.27
• IUPAC Name: N-[1-(2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl)-4-methyl-1-oxopentan-2-yl]-N-methyl-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrole-2-carboxamide
• SMILES: C/C=C\c1cc(C(=O)N(C)C(CC(C)C)C(=O)N2CC3(CC2C#N)C(=O)Nc2ccccc23)[nH]c1/C=C\C
• InChI: InChI=1S/C30H35N5O3/c1-6-10-20-15-25(32-23(20)11-7-2)27(36)34(5)26(14-19(3)4)28(37)35-18-30(16-21(35)17-31)22-12-8-9-13-24(22)33-29(30)38/h6-13,15,19,21,26,32H,14,16,18H2,1-5H3,(H,33,38)/b10-6-,11-7-
• InChIKey: RAUHHYVZRGUBCR-SQXCDDPUSA-N
• XLogP: 4.58
• TPSA: 109.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.64
LogP ≤ 5	4.58
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[1-(2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl)-4-methyl-1-oxopentan-2-yl]-N-methyl-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrole-2-carboxamide?

The IUPAC name of N-[1-(2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl)-4-methyl-1-oxopentan-2-yl]-N-methyl-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrole-2-carboxamide (CID 167077535) is N-[1-(2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl)-4-methyl-1-oxopentan-2-yl]-N-methyl-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrole-2-carboxamide.

What is the SMILES notation for N-[1-(2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl)-4-methyl-1-oxopentan-2-yl]-N-methyl-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrole-2-carboxamide?

The canonical SMILES for N-[1-(2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl)-4-methyl-1-oxopentan-2-yl]-N-methyl-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrole-2-carboxamide is C/C=C\c1cc(C(=O)N(C)C(CC(C)C)C(=O)N2CC3(CC2C#N)C(=O)Nc2ccccc23)[nH]c1/C=C\C.

What is the InChIKey of N-[1-(2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl)-4-methyl-1-oxopentan-2-yl]-N-methyl-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrole-2-carboxamide?

The InChIKey is RAUHHYVZRGUBCR-SQXCDDPUSA-N. The full InChI is InChI=1S/C30H35N5O3/c1-6-10-20-15-25(32-23(20)11-7-2)27(36)34(5)26(14-19(3)4)28(37)35-18-30(16-21(35)17-31)22-12-8-9-13-24(22)33-29(30)38/h6-13,15,19,21,26,32H,14,16,18H2,1-5H3,(H,33,38)/b10-6-,11-7-.

What are the key properties of N-[1-(2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl)-4-methyl-1-oxopentan-2-yl]-N-methyl-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrole-2-carboxamide?

N-[1-(2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl)-4-methyl-1-oxopentan-2-yl]-N-methyl-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrole-2-carboxamide has a molecular weight of 513.64 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(2'-cyano-2-oxospiro[1H-indole-3,4'-pyrrolidine]-1'-yl)-4-methyl-1-oxopentan-2-yl]-N-methyl-4,5-bis[(Z)-prop-1-enyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 167077535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).