7-chloro-2-(oxolan-2-ylmethyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

C26H23ClN2O5 — CID 18867761

IUPAC7-chloro-2-(oxolan-2-ylmethyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESCCCN1C(=O)C2(c3ccccc31)c1c(oc3ccc(Cl)cc3c1=O)C(=O)N2CC1CCCO1
InChIInChI=1S/C26H23ClN2O5/c1-2-11-28-19-8-4-3-7-18(19)26(25(28)32)21-22(30)17-13-15(27)9-10-20(17)34-23(21)24(31)29(26)14-16-6-5-12-33-16/h3-4,7-10,13,16H,2,5-6,11-12,14H2,1H3
InChIKeyMMMXWTIECUBRHC-UHFFFAOYSA-N
MW478.93 g/mol
LogP4.08
Rot. Bonds4

About 7-chloro-2-(oxolan-2-ylmethyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

7-chloro-2-(oxolan-2-ylmethyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (PubChem CID 18867761) has the molecular formula C26H23ClN2O5 and a molecular weight of 478.93 g/mol. Its IUPAC name is 7-chloro-2-(oxolan-2-ylmethyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

Molecular Properties

Compound Name7-chloro-2-(oxolan-2-ylmethyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
PubChem CID18867761
Molecular FormulaC26H23ClN2O5
Molecular Weight478.93 g/mol
Exact Mass478.13
IUPAC Name7-chloro-2-(oxolan-2-ylmethyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESCCCN1C(=O)C2(c3ccccc31)c1c(oc3ccc(Cl)cc3c1=O)C(=O)N2CC1CCCO1
InChIInChI=1S/C26H23ClN2O5/c1-2-11-28-19-8-4-3-7-18(19)26(25(28)32)21-22(30)17-13-15(27)9-10-20(17)34-23(21)24(31)29(26)14-16-6-5-12-33-16/h3-4,7-10,13,16H,2,5-6,11-12,14H2,1H3
InChIKeyMMMXWTIECUBRHC-UHFFFAOYSA-N
XLogP4.08
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.93
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-7-methyl-2-[[(2S)-oxolan-2-yl]methyl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 40871817
(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
(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
2-benzyl-7-chloro-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 4208981
(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
7-chloro-2-(3-methoxypropyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18867762
1'-benzyl-7-chloro-2-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18867839
2-butyl-7-chloro-1'-ethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 2980273
(1S)-6,7-dimethyl-2-[[(2R)-oxolan-2-yl]methyl]-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 27316821
(1R)-6,7-dimethyl-2-[[(2S)-oxolan-2-yl]methyl]-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 27316816
7-methyl-1',2-dipropylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18868751
7-chloro-1'-ethyl-2-(2-methoxyethyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 3316444

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(oxolan-2-ylmethyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The IUPAC name of 7-chloro-2-(oxolan-2-ylmethyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (CID 18867761) is 7-chloro-2-(oxolan-2-ylmethyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.
What is the SMILES notation for 7-chloro-2-(oxolan-2-ylmethyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The canonical SMILES for 7-chloro-2-(oxolan-2-ylmethyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is CCCN1C(=O)C2(c3ccccc31)c1c(oc3ccc(Cl)cc3c1=O)C(=O)N2CC1CCCO1.
What is the InChIKey of 7-chloro-2-(oxolan-2-ylmethyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The InChIKey is MMMXWTIECUBRHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN2O5/c1-2-11-28-19-8-4-3-7-18(19)26(25(28)32)21-22(30)17-13-15(27)9-10-20(17)34-23(21)24(31)29(26)14-16-6-5-12-33-16/h3-4,7-10,13,16H,2,5-6,11-12,14H2,1H3.
What are the key properties of 7-chloro-2-(oxolan-2-ylmethyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
7-chloro-2-(oxolan-2-ylmethyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione has a molecular weight of 478.93 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(oxolan-2-ylmethyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is sourced from PubChem (CID 18867761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).