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

C23H20N2O4 — CID 40849899

IUPAC(1S)-1'-ethyl-2-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@]12C(=O)N(CC)c1ccccc12
InChIInChI=1S/C23H20N2O4/c1-3-13-25-21(27)20-18(19(26)14-9-5-8-12-17(14)29-20)23(25)15-10-6-7-11-16(15)24(4-2)22(23)28/h5-12H,3-4,13H2,1-2H3/t23-/m0/s1
InChIKeyJDNPGQNSUAAMAI-QHCPKHFHSA-N
MW388.42 g/mol
LogP3.27
Rot. Bonds3

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

(1S)-1'-ethyl-2-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (PubChem CID 40849899) has the molecular formula C23H20N2O4 and a molecular weight of 388.42 g/mol. Its IUPAC name is (1S)-1'-ethyl-2-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

Molecular Properties

Compound Name(1S)-1'-ethyl-2-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
PubChem CID40849899
Molecular FormulaC23H20N2O4
Molecular Weight388.42 g/mol
Exact Mass388.14
IUPAC Name(1S)-1'-ethyl-2-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@]12C(=O)N(CC)c1ccccc12
InChIInChI=1S/C23H20N2O4/c1-3-13-25-21(27)20-18(19(26)14-9-5-8-12-17(14)29-20)23(25)15-10-6-7-11-16(15)24(4-2)22(23)28/h5-12H,3-4,13H2,1-2H3/t23-/m0/s1
InChIKeyJDNPGQNSUAAMAI-QHCPKHFHSA-N
XLogP3.27
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1'-ethyl-2-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The IUPAC name of (1S)-1'-ethyl-2-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (CID 40849899) is (1S)-1'-ethyl-2-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.
What is the SMILES notation for (1S)-1'-ethyl-2-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The canonical SMILES for (1S)-1'-ethyl-2-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@]12C(=O)N(CC)c1ccccc12.
What is the InChIKey of (1S)-1'-ethyl-2-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The InChIKey is JDNPGQNSUAAMAI-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H20N2O4/c1-3-13-25-21(27)20-18(19(26)14-9-5-8-12-17(14)29-20)23(25)15-10-6-7-11-16(15)24(4-2)22(23)28/h5-12H,3-4,13H2,1-2H3/t23-/m0/s1.
What are the key properties of (1S)-1'-ethyl-2-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
(1S)-1'-ethyl-2-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione has a molecular weight of 388.42 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1'-ethyl-2-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is sourced from PubChem (CID 40849899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).