(1R)-1'-ethyl-6,7-dimethyl-2-(3-propan-2-yloxypropyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

C28H30N2O5 — CID 41068038

IUPAC(1R)-1'-ethyl-6,7-dimethyl-2-(3-propan-2-yloxypropyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESCCN1C(=O)[C@@]2(c3ccccc31)c1c(oc3cc(C)c(C)cc3c1=O)C(=O)N2CCCOC(C)C
InChIInChI=1S/C28H30N2O5/c1-6-29-21-11-8-7-10-20(21)28(27(29)33)23-24(31)19-14-17(4)18(5)15-22(19)35-25(23)26(32)30(28)12-9-13-34-16(2)3/h7-8,10-11,14-16H,6,9,12-13H2,1-5H3/t28-/m1/s1
InChIKeyWIXIHGGPEYGJAT-MUUNZHRXSA-N
MW474.56 g/mol
LogP4.29
Rot. Bonds6

About (1R)-1'-ethyl-6,7-dimethyl-2-(3-propan-2-yloxypropyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

(1R)-1'-ethyl-6,7-dimethyl-2-(3-propan-2-yloxypropyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (PubChem CID 41068038) has the molecular formula C28H30N2O5 and a molecular weight of 474.56 g/mol. Its IUPAC name is (1R)-1'-ethyl-6,7-dimethyl-2-(3-propan-2-yloxypropyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

Molecular Properties

Compound Name(1R)-1'-ethyl-6,7-dimethyl-2-(3-propan-2-yloxypropyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
PubChem CID41068038
Molecular FormulaC28H30N2O5
Molecular Weight474.56 g/mol
Exact Mass474.22
IUPAC Name(1R)-1'-ethyl-6,7-dimethyl-2-(3-propan-2-yloxypropyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESCCN1C(=O)[C@@]2(c3ccccc31)c1c(oc3cc(C)c(C)cc3c1=O)C(=O)N2CCCOC(C)C
InChIInChI=1S/C28H30N2O5/c1-6-29-21-11-8-7-10-20(21)28(27(29)33)23-24(31)19-14-17(4)18(5)15-22(19)35-25(23)26(32)30(28)12-9-13-34-16(2)3/h7-8,10-11,14-16H,6,9,12-13H2,1-5H3/t28-/m1/s1
InChIKeyWIXIHGGPEYGJAT-MUUNZHRXSA-N
XLogP4.29
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.56
LogP ≤ 54.29
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'-ethyl-6,7-dimethyl-2-(3-propan-2-yloxypropyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The IUPAC name of (1R)-1'-ethyl-6,7-dimethyl-2-(3-propan-2-yloxypropyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (CID 41068038) is (1R)-1'-ethyl-6,7-dimethyl-2-(3-propan-2-yloxypropyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.
What is the SMILES notation for (1R)-1'-ethyl-6,7-dimethyl-2-(3-propan-2-yloxypropyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The canonical SMILES for (1R)-1'-ethyl-6,7-dimethyl-2-(3-propan-2-yloxypropyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is CCN1C(=O)[C@@]2(c3ccccc31)c1c(oc3cc(C)c(C)cc3c1=O)C(=O)N2CCCOC(C)C.
What is the InChIKey of (1R)-1'-ethyl-6,7-dimethyl-2-(3-propan-2-yloxypropyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The InChIKey is WIXIHGGPEYGJAT-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H30N2O5/c1-6-29-21-11-8-7-10-20(21)28(27(29)33)23-24(31)19-14-17(4)18(5)15-22(19)35-25(23)26(32)30(28)12-9-13-34-16(2)3/h7-8,10-11,14-16H,6,9,12-13H2,1-5H3/t28-/m1/s1.
What are the key properties of (1R)-1'-ethyl-6,7-dimethyl-2-(3-propan-2-yloxypropyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
(1R)-1'-ethyl-6,7-dimethyl-2-(3-propan-2-yloxypropyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione has a molecular weight of 474.56 g/mol, XLogP of 4.29, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1'-ethyl-6,7-dimethyl-2-(3-propan-2-yloxypropyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is sourced from PubChem (CID 41068038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).