(1S)-1',2,6-trimethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

C21H16N2O4 — CID 40871855

IUPAC(1S)-1',2,6-trimethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESCc1ccc2c(=O)c3c(oc2c1)C(=O)N(C)[C@]31C(=O)N(C)c2ccccc21
InChIInChI=1S/C21H16N2O4/c1-11-8-9-12-15(10-11)27-18-16(17(12)24)21(23(3)19(18)25)13-6-4-5-7-14(13)22(2)20(21)26/h4-10H,1-3H3/t21-/m0/s1
InChIKeyHYGYPZQOQBPXJX-NRFANRHFSA-N
MW360.37 g/mol
LogP2.41
Rot. Bonds

About (1S)-1',2,6-trimethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

(1S)-1',2,6-trimethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (PubChem CID 40871855) has the molecular formula C21H16N2O4 and a molecular weight of 360.37 g/mol. Its IUPAC name is (1S)-1',2,6-trimethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

Molecular Properties

Compound Name(1S)-1',2,6-trimethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
PubChem CID40871855
Molecular FormulaC21H16N2O4
Molecular Weight360.37 g/mol
Exact Mass360.11
IUPAC Name(1S)-1',2,6-trimethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESCc1ccc2c(=O)c3c(oc2c1)C(=O)N(C)[C@]31C(=O)N(C)c2ccccc21
InChIInChI=1S/C21H16N2O4/c1-11-8-9-12-15(10-11)27-18-16(17(12)24)21(23(3)19(18)25)13-6-4-5-7-14(13)22(2)20(21)26/h4-10H,1-3H3/t21-/m0/s1
InChIKeyHYGYPZQOQBPXJX-NRFANRHFSA-N
XLogP2.41
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1',2,6-trimethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The IUPAC name of (1S)-1',2,6-trimethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (CID 40871855) is (1S)-1',2,6-trimethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.
What is the SMILES notation for (1S)-1',2,6-trimethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The canonical SMILES for (1S)-1',2,6-trimethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is Cc1ccc2c(=O)c3c(oc2c1)C(=O)N(C)[C@]31C(=O)N(C)c2ccccc21.
What is the InChIKey of (1S)-1',2,6-trimethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The InChIKey is HYGYPZQOQBPXJX-NRFANRHFSA-N. The full InChI is InChI=1S/C21H16N2O4/c1-11-8-9-12-15(10-11)27-18-16(17(12)24)21(23(3)19(18)25)13-6-4-5-7-14(13)22(2)20(21)26/h4-10H,1-3H3/t21-/m0/s1.
What are the key properties of (1S)-1',2,6-trimethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
(1S)-1',2,6-trimethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione has a molecular weight of 360.37 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1',2,6-trimethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is sourced from PubChem (CID 40871855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).