1'-benzyl-2-(3-propan-2-yloxypropyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

C31H28N2O5 — CID 18867345

IUPAC1'-benzyl-2-(3-propan-2-yloxypropyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESCC(C)OCCCN1C(=O)c2oc3ccccc3c(=O)c2C12C(=O)N(Cc1ccccc1)c1ccccc12
InChIInChI=1S/C31H28N2O5/c1-20(2)37-18-10-17-33-29(35)28-26(27(34)22-13-6-9-16-25(22)38-28)31(33)23-14-7-8-15-24(23)32(30(31)36)19-21-11-4-3-5-12-21/h3-9,11-16,20H,10,17-19H2,1-2H3
InChIKeyCRWVSGPLLNFRLG-UHFFFAOYSA-N
MW508.57 g/mol
LogP4.85
Rot. Bonds7

About 1'-benzyl-2-(3-propan-2-yloxypropyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

1'-benzyl-2-(3-propan-2-yloxypropyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (PubChem CID 18867345) has the molecular formula C31H28N2O5 and a molecular weight of 508.57 g/mol. Its IUPAC name is 1'-benzyl-2-(3-propan-2-yloxypropyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

Molecular Properties

Compound Name1'-benzyl-2-(3-propan-2-yloxypropyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
PubChem CID18867345
Molecular FormulaC31H28N2O5
Molecular Weight508.57 g/mol
Exact Mass508.20
IUPAC Name1'-benzyl-2-(3-propan-2-yloxypropyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESCC(C)OCCCN1C(=O)c2oc3ccccc3c(=O)c2C12C(=O)N(Cc1ccccc1)c1ccccc12
InChIInChI=1S/C31H28N2O5/c1-20(2)37-18-10-17-33-29(35)28-26(27(34)22-13-6-9-16-25(22)38-28)31(33)23-14-7-8-15-24(23)32(30(31)36)19-21-11-4-3-5-12-21/h3-9,11-16,20H,10,17-19H2,1-2H3
InChIKeyCRWVSGPLLNFRLG-UHFFFAOYSA-N
XLogP4.85
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.57
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1'-benzyl-2-(3-propan-2-yloxypropyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The IUPAC name of 1'-benzyl-2-(3-propan-2-yloxypropyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (CID 18867345) is 1'-benzyl-2-(3-propan-2-yloxypropyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.
What is the SMILES notation for 1'-benzyl-2-(3-propan-2-yloxypropyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The canonical SMILES for 1'-benzyl-2-(3-propan-2-yloxypropyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is CC(C)OCCCN1C(=O)c2oc3ccccc3c(=O)c2C12C(=O)N(Cc1ccccc1)c1ccccc12.
What is the InChIKey of 1'-benzyl-2-(3-propan-2-yloxypropyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The InChIKey is CRWVSGPLLNFRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N2O5/c1-20(2)37-18-10-17-33-29(35)28-26(27(34)22-13-6-9-16-25(22)38-28)31(33)23-14-7-8-15-24(23)32(30(31)36)19-21-11-4-3-5-12-21/h3-9,11-16,20H,10,17-19H2,1-2H3.
What are the key properties of 1'-benzyl-2-(3-propan-2-yloxypropyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
1'-benzyl-2-(3-propan-2-yloxypropyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione has a molecular weight of 508.57 g/mol, XLogP of 4.85, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzyl-2-(3-propan-2-yloxypropyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is sourced from PubChem (CID 18867345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).