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

C26H26N2O5 — CID 41068064

IUPAC(1R)-1',7-dimethyl-2-(3-propan-2-yloxypropyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESCc1ccc2oc3c(c(=O)c2c1)[C@]1(C(=O)N(C)c2ccccc21)N(CCCOC(C)C)C3=O
InChIInChI=1S/C26H26N2O5/c1-15(2)32-13-7-12-28-24(30)23-21(22(29)17-14-16(3)10-11-20(17)33-23)26(28)18-8-5-6-9-19(18)27(4)25(26)31/h5-6,8-11,14-15H,7,12-13H2,1-4H3/t26-/m1/s1
InChIKeyLNQFQGVJJLPGPZ-AREMUKBSSA-N
MW446.50 g/mol
LogP3.59
Rot. Bonds5

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

(1R)-1',7-dimethyl-2-(3-propan-2-yloxypropyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (PubChem CID 41068064) has the molecular formula C26H26N2O5 and a molecular weight of 446.50 g/mol. Its IUPAC name is (1R)-1',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',7-dimethyl-2-(3-propan-2-yloxypropyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
PubChem CID41068064
Molecular FormulaC26H26N2O5
Molecular Weight446.50 g/mol
Exact Mass446.18
IUPAC Name(1R)-1',7-dimethyl-2-(3-propan-2-yloxypropyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESCc1ccc2oc3c(c(=O)c2c1)[C@]1(C(=O)N(C)c2ccccc21)N(CCCOC(C)C)C3=O
InChIInChI=1S/C26H26N2O5/c1-15(2)32-13-7-12-28-24(30)23-21(22(29)17-14-16(3)10-11-20(17)33-23)26(28)18-8-5-6-9-19(18)27(4)25(26)31/h5-6,8-11,14-15H,7,12-13H2,1-4H3/t26-/m1/s1
InChIKeyLNQFQGVJJLPGPZ-AREMUKBSSA-N
XLogP3.59
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.50
LogP ≤ 53.59
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',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',7-dimethyl-2-(3-propan-2-yloxypropyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (CID 41068064) is (1R)-1',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',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',7-dimethyl-2-(3-propan-2-yloxypropyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is Cc1ccc2oc3c(c(=O)c2c1)[C@]1(C(=O)N(C)c2ccccc21)N(CCCOC(C)C)C3=O.
What is the InChIKey of (1R)-1',7-dimethyl-2-(3-propan-2-yloxypropyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The InChIKey is LNQFQGVJJLPGPZ-AREMUKBSSA-N. The full InChI is InChI=1S/C26H26N2O5/c1-15(2)32-13-7-12-28-24(30)23-21(22(29)17-14-16(3)10-11-20(17)33-23)26(28)18-8-5-6-9-19(18)27(4)25(26)31/h5-6,8-11,14-15H,7,12-13H2,1-4H3/t26-/m1/s1.
What are the key properties of (1R)-1',7-dimethyl-2-(3-propan-2-yloxypropyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
(1R)-1',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 446.50 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1',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 41068064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).