(1R)-1'-butyl-2-(3-ethoxypropyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

C27H28N2O5 — CID 40871077

IUPAC(1R)-1'-butyl-2-(3-ethoxypropyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESCCCCN1C(=O)[C@@]2(c3ccccc31)c1c(oc3ccccc3c1=O)C(=O)N2CCCOCC
InChIInChI=1S/C27H28N2O5/c1-3-5-15-28-20-13-8-7-12-19(20)27(26(28)32)22-23(30)18-11-6-9-14-21(18)34-24(22)25(31)29(27)16-10-17-33-4-2/h6-9,11-14H,3-5,10,15-17H2,1-2H3/t27-/m1/s1
InChIKeyUKJPWRYUTFKUFV-HHHXNRCGSA-N
MW460.53 g/mol
LogP4.07
Rot. Bonds8

About (1R)-1'-butyl-2-(3-ethoxypropyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

(1R)-1'-butyl-2-(3-ethoxypropyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (PubChem CID 40871077) has the molecular formula C27H28N2O5 and a molecular weight of 460.53 g/mol. Its IUPAC name is (1R)-1'-butyl-2-(3-ethoxypropyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

Molecular Properties

Compound Name(1R)-1'-butyl-2-(3-ethoxypropyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
PubChem CID40871077
Molecular FormulaC27H28N2O5
Molecular Weight460.53 g/mol
Exact Mass460.20
IUPAC Name(1R)-1'-butyl-2-(3-ethoxypropyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESCCCCN1C(=O)[C@@]2(c3ccccc31)c1c(oc3ccccc3c1=O)C(=O)N2CCCOCC
InChIInChI=1S/C27H28N2O5/c1-3-5-15-28-20-13-8-7-12-19(20)27(26(28)32)22-23(30)18-11-6-9-14-21(18)34-24(22)25(31)29(27)16-10-17-33-4-2/h6-9,11-14H,3-5,10,15-17H2,1-2H3/t27-/m1/s1
InChIKeyUKJPWRYUTFKUFV-HHHXNRCGSA-N
XLogP4.07
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 54.07
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 (1R)-1'-butyl-2-(3-ethoxypropyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The IUPAC name of (1R)-1'-butyl-2-(3-ethoxypropyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (CID 40871077) is (1R)-1'-butyl-2-(3-ethoxypropyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.
What is the SMILES notation for (1R)-1'-butyl-2-(3-ethoxypropyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The canonical SMILES for (1R)-1'-butyl-2-(3-ethoxypropyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is CCCCN1C(=O)[C@@]2(c3ccccc31)c1c(oc3ccccc3c1=O)C(=O)N2CCCOCC.
What is the InChIKey of (1R)-1'-butyl-2-(3-ethoxypropyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The InChIKey is UKJPWRYUTFKUFV-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H28N2O5/c1-3-5-15-28-20-13-8-7-12-19(20)27(26(28)32)22-23(30)18-11-6-9-14-21(18)34-24(22)25(31)29(27)16-10-17-33-4-2/h6-9,11-14H,3-5,10,15-17H2,1-2H3/t27-/m1/s1.
What are the key properties of (1R)-1'-butyl-2-(3-ethoxypropyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
(1R)-1'-butyl-2-(3-ethoxypropyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione has a molecular weight of 460.53 g/mol, XLogP of 4.07, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1'-butyl-2-(3-ethoxypropyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is sourced from PubChem (CID 40871077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).