7''-methyl-1'-[(naphthalen-2-yl)carbonyl]-1,1'',2,2'',5',6',7',7'a-octahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''-dione

C33H27N3O3 — CID 4860059

IUPAC—
SMILESCc1cccc2c1NC(=O)C21N2CCCC2C(C(=O)c2ccc3ccccc3c2)C12C(=O)Nc1ccccc12
InChIInChI=1S/C33H27N3O3/c1-19-8-6-12-24-28(19)35-31(39)33(24)32(23-11-4-5-13-25(23)34-30(32)38)27(26-14-7-17-36(26)33)29(37)22-16-15-20-9-2-3-10-21(20)18-22/h2-6,8-13,15-16,18,26-27H,7,14,17H2,1H3,(H,34,38)(H,35,39)
InChIKeyHTVNOZMEKLYJJG-UHFFFAOYSA-N
MW513.60 g/mol
LogP5.16
Rot. Bonds2

About 7''-methyl-1'-[(naphthalen-2-yl)carbonyl]-1,1'',2,2'',5',6',7',7'a-octahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''-dione

7''-methyl-1'-[(naphthalen-2-yl)carbonyl]-1,1'',2,2'',5',6',7',7'a-octahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''-dione (PubChem CID 4860059) has the molecular formula C33H27N3O3 and a molecular weight of 513.60 g/mol.

Molecular Properties

Compound Name7''-methyl-1'-[(naphthalen-2-yl)carbonyl]-1,1'',2,2'',5',6',7',7'a-octahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''-dione
PubChem CID4860059
Molecular FormulaC33H27N3O3
Molecular Weight513.60 g/mol
Exact Mass513.21
IUPAC Name—
SMILESCc1cccc2c1NC(=O)C21N2CCCC2C(C(=O)c2ccc3ccccc3c2)C12C(=O)Nc1ccccc12
InChIInChI=1S/C33H27N3O3/c1-19-8-6-12-24-28(19)35-31(39)33(24)32(23-11-4-5-13-25(23)34-30(32)38)27(26-14-7-17-36(26)33)29(37)22-16-15-20-9-2-3-10-21(20)18-22/h2-6,8-13,15-16,18,26-27H,7,14,17H2,1H3,(H,34,38)(H,35,39)
InChIKeyHTVNOZMEKLYJJG-UHFFFAOYSA-N
XLogP5.16
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.60
LogP ≤ 55.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7''-methyl-1'-[(naphthalen-2-yl)carbonyl]-1,1'',2,2'',5',6',7',7'a-octahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7''-methyl-1'-[(naphthalen-2-yl)carbonyl]-1,1'',2,2'',5',6',7',7'a-octahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''-dione?
The IUPAC name of 7''-methyl-1'-[(naphthalen-2-yl)carbonyl]-1,1'',2,2'',5',6',7',7'a-octahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''-dione (CID 4860059) is not available.
What is the SMILES notation for 7''-methyl-1'-[(naphthalen-2-yl)carbonyl]-1,1'',2,2'',5',6',7',7'a-octahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''-dione?
The canonical SMILES for 7''-methyl-1'-[(naphthalen-2-yl)carbonyl]-1,1'',2,2'',5',6',7',7'a-octahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''-dione is Cc1cccc2c1NC(=O)C21N2CCCC2C(C(=O)c2ccc3ccccc3c2)C12C(=O)Nc1ccccc12.
What is the InChIKey of 7''-methyl-1'-[(naphthalen-2-yl)carbonyl]-1,1'',2,2'',5',6',7',7'a-octahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''-dione?
The InChIKey is HTVNOZMEKLYJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H27N3O3/c1-19-8-6-12-24-28(19)35-31(39)33(24)32(23-11-4-5-13-25(23)34-30(32)38)27(26-14-7-17-36(26)33)29(37)22-16-15-20-9-2-3-10-21(20)18-22/h2-6,8-13,15-16,18,26-27H,7,14,17H2,1H3,(H,34,38)(H,35,39).
What are the key properties of 7''-methyl-1'-[(naphthalen-2-yl)carbonyl]-1,1'',2,2'',5',6',7',7'a-octahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''-dione?
7''-methyl-1'-[(naphthalen-2-yl)carbonyl]-1,1'',2,2'',5',6',7',7'a-octahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''-dione has a molecular weight of 513.60 g/mol, XLogP of 5.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7''-methyl-1'-[(naphthalen-2-yl)carbonyl]-1,1'',2,2'',5',6',7',7'a-octahydro-1'H-dispiro[indole-3,2'-pyrrolizine-3',3''-indole]-2,2''-dione is sourced from PubChem (CID 4860059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).