1'-ethyl-7-fluoro-2-(2-hydroxyethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

C22H17FN2O5 — CID 18868190

IUPAC1'-ethyl-7-fluoro-2-(2-hydroxyethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESCCN1C(=O)C2(c3ccccc31)c1c(oc3ccc(F)cc3c1=O)C(=O)N2CCO
InChIInChI=1S/C22H17FN2O5/c1-2-24-15-6-4-3-5-14(15)22(21(24)29)17-18(27)13-11-12(23)7-8-16(13)30-19(17)20(28)25(22)9-10-26/h3-8,11,26H,2,9-10H2,1H3
InChIKeyMUKAPBFOSPEZRJ-UHFFFAOYSA-N
MW408.39 g/mol
LogP1.99
Rot. Bonds3

About 1'-ethyl-7-fluoro-2-(2-hydroxyethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

1'-ethyl-7-fluoro-2-(2-hydroxyethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (PubChem CID 18868190) has the molecular formula C22H17FN2O5 and a molecular weight of 408.39 g/mol. Its IUPAC name is 1'-ethyl-7-fluoro-2-(2-hydroxyethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

Molecular Properties

Compound Name1'-ethyl-7-fluoro-2-(2-hydroxyethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
PubChem CID18868190
Molecular FormulaC22H17FN2O5
Molecular Weight408.39 g/mol
Exact Mass408.11
IUPAC Name1'-ethyl-7-fluoro-2-(2-hydroxyethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESCCN1C(=O)C2(c3ccccc31)c1c(oc3ccc(F)cc3c1=O)C(=O)N2CCO
InChIInChI=1S/C22H17FN2O5/c1-2-24-15-6-4-3-5-14(15)22(21(24)29)17-18(27)13-11-12(23)7-8-16(13)30-19(17)20(28)25(22)9-10-26/h3-8,11,26H,2,9-10H2,1H3
InChIKeyMUKAPBFOSPEZRJ-UHFFFAOYSA-N
XLogP1.99
TPSA91.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.39
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-fluoro-2-(2-hydroxyethyl)-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18868559
7-bromo-2-(2-hydroxyethyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 3842308
2-butyl-7-fluoro-1'-[(4-fluorophenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18868423
7-fluoro-1'-[(2-methylphenyl)methyl]-2-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18868557
(1S)-1'-ethyl-2-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 40849899
2-butyl-7-fluoro-1'-[(2-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18868558
2-butyl-7-chloro-1'-ethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 2980273
7-fluoro-2-[2-(4-methoxyphenyl)ethyl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18868251
7-chloro-1'-ethyl-2-(2-methoxyethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 3316444
(1S)-7-fluoro-2-(3-methoxypropyl)-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 41068060
(1R)-7-fluoro-2-[[(2R)-oxolan-2-yl]methyl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 41068050
(1S)-7-fluoro-2-[[(2S)-oxolan-2-yl]methyl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 41068047

Frequently Asked Questions

What is the IUPAC name of 1'-ethyl-7-fluoro-2-(2-hydroxyethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The IUPAC name of 1'-ethyl-7-fluoro-2-(2-hydroxyethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (CID 18868190) is 1'-ethyl-7-fluoro-2-(2-hydroxyethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.
What is the SMILES notation for 1'-ethyl-7-fluoro-2-(2-hydroxyethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The canonical SMILES for 1'-ethyl-7-fluoro-2-(2-hydroxyethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is CCN1C(=O)C2(c3ccccc31)c1c(oc3ccc(F)cc3c1=O)C(=O)N2CCO.
What is the InChIKey of 1'-ethyl-7-fluoro-2-(2-hydroxyethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The InChIKey is MUKAPBFOSPEZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O5/c1-2-24-15-6-4-3-5-14(15)22(21(24)29)17-18(27)13-11-12(23)7-8-16(13)30-19(17)20(28)25(22)9-10-26/h3-8,11,26H,2,9-10H2,1H3.
What are the key properties of 1'-ethyl-7-fluoro-2-(2-hydroxyethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
1'-ethyl-7-fluoro-2-(2-hydroxyethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione has a molecular weight of 408.39 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-ethyl-7-fluoro-2-(2-hydroxyethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is sourced from PubChem (CID 18868190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).