(1R)-1',7-dimethyl-2-[[(2S)-oxolan-2-yl]methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

C25H22N2O5 — CID 40871821

IUPAC(1R)-1',7-dimethyl-2-[[(2S)-oxolan-2-yl]methyl]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(C[C@@H]1CCCO1)C3=O
InChIInChI=1S/C25H22N2O5/c1-14-9-10-19-16(12-14)21(28)20-22(32-19)23(29)27(13-15-6-5-11-31-15)25(20)17-7-3-4-8-18(17)26(2)24(25)30/h3-4,7-10,12,15H,5-6,11,13H2,1-2H3/t15-,25+/m0/s1
InChIKeyMJJXOFCZCPJQMF-ODCWNRFASA-N
MW430.46 g/mol
LogP2.96
Rot. Bonds2

About (1R)-1',7-dimethyl-2-[[(2S)-oxolan-2-yl]methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

(1R)-1',7-dimethyl-2-[[(2S)-oxolan-2-yl]methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (PubChem CID 40871821) has the molecular formula C25H22N2O5 and a molecular weight of 430.46 g/mol. Its IUPAC name is (1R)-1',7-dimethyl-2-[[(2S)-oxolan-2-yl]methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

Molecular Properties

Compound Name(1R)-1',7-dimethyl-2-[[(2S)-oxolan-2-yl]methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
PubChem CID40871821
Molecular FormulaC25H22N2O5
Molecular Weight430.46 g/mol
Exact Mass430.15
IUPAC Name(1R)-1',7-dimethyl-2-[[(2S)-oxolan-2-yl]methyl]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(C[C@@H]1CCCO1)C3=O
InChIInChI=1S/C25H22N2O5/c1-14-9-10-19-16(12-14)21(28)20-22(32-19)23(29)27(13-15-6-5-11-31-15)25(20)17-7-3-4-8-18(17)26(2)24(25)30/h3-4,7-10,12,15H,5-6,11,13H2,1-2H3/t15-,25+/m0/s1
InChIKeyMJJXOFCZCPJQMF-ODCWNRFASA-N
XLogP2.96
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1R)-1',7-dimethyl-2-[[(2S)-oxolan-2-yl]methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The IUPAC name of (1R)-1',7-dimethyl-2-[[(2S)-oxolan-2-yl]methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (CID 40871821) is (1R)-1',7-dimethyl-2-[[(2S)-oxolan-2-yl]methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.
What is the SMILES notation for (1R)-1',7-dimethyl-2-[[(2S)-oxolan-2-yl]methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The canonical SMILES for (1R)-1',7-dimethyl-2-[[(2S)-oxolan-2-yl]methyl]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(C[C@@H]1CCCO1)C3=O.
What is the InChIKey of (1R)-1',7-dimethyl-2-[[(2S)-oxolan-2-yl]methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The InChIKey is MJJXOFCZCPJQMF-ODCWNRFASA-N. The full InChI is InChI=1S/C25H22N2O5/c1-14-9-10-19-16(12-14)21(28)20-22(32-19)23(29)27(13-15-6-5-11-31-15)25(20)17-7-3-4-8-18(17)26(2)24(25)30/h3-4,7-10,12,15H,5-6,11,13H2,1-2H3/t15-,25+/m0/s1.
What are the key properties of (1R)-1',7-dimethyl-2-[[(2S)-oxolan-2-yl]methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
(1R)-1',7-dimethyl-2-[[(2S)-oxolan-2-yl]methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione has a molecular weight of 430.46 g/mol, XLogP of 2.96, 2 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-[[(2S)-oxolan-2-yl]methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is sourced from PubChem (CID 40871821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).