2-benzyl-7-chloro-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

C28H21ClN2O4 — CID 4208981

IUPAC2-benzyl-7-chloro-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)N2Cc1ccccc1
InChIInChI=1S/C28H21ClN2O4/c1-2-14-30-21-11-7-6-10-20(21)28(27(30)34)23-24(32)19-15-18(29)12-13-22(19)35-25(23)26(33)31(28)16-17-8-4-3-5-9-17/h3-13,15H,2,14,16H2,1H3
InChIKeyKAVJXMOUVISLCM-UHFFFAOYSA-N
MW484.94 g/mol
LogP5.10
Rot. Bonds4

About 2-benzyl-7-chloro-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

2-benzyl-7-chloro-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (PubChem CID 4208981) has the molecular formula C28H21ClN2O4 and a molecular weight of 484.94 g/mol. Its IUPAC name is 2-benzyl-7-chloro-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

Molecular Properties

Compound Name2-benzyl-7-chloro-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
PubChem CID4208981
Molecular FormulaC28H21ClN2O4
Molecular Weight484.94 g/mol
Exact Mass484.12
IUPAC Name2-benzyl-7-chloro-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)N2Cc1ccccc1
InChIInChI=1S/C28H21ClN2O4/c1-2-14-30-21-11-7-6-10-20(21)28(27(30)34)23-24(32)19-15-18(29)12-13-22(19)35-25(23)26(33)31(28)16-17-8-4-3-5-9-17/h3-13,15H,2,14,16H2,1H3
InChIKeyKAVJXMOUVISLCM-UHFFFAOYSA-N
XLogP5.10
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.94
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1'-benzyl-7-chloro-2-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18867839
7-chloro-2-(3-methoxypropyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18867762
2-butyl-7-chloro-1'-ethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 2980273
1'-benzyl-7-chloro-2-(3-methoxypropyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18867833
7-chloro-2-(oxolan-2-ylmethyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18867761
6,7-dimethyl-2-[(4-methylphenyl)methyl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18869581
7-methyl-2-(2-phenylethyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 3441762
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
1'-benzyl-2-butyl-7-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18868824
(1S)-6,7-dimethyl-2-(2-phenylethyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 27309202
7-chloro-1'-ethyl-2-(3-methoxypropyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 4300237

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-7-chloro-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The IUPAC name of 2-benzyl-7-chloro-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (CID 4208981) is 2-benzyl-7-chloro-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.
What is the SMILES notation for 2-benzyl-7-chloro-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The canonical SMILES for 2-benzyl-7-chloro-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)N2Cc1ccccc1.
What is the InChIKey of 2-benzyl-7-chloro-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The InChIKey is KAVJXMOUVISLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21ClN2O4/c1-2-14-30-21-11-7-6-10-20(21)28(27(30)34)23-24(32)19-15-18(29)12-13-22(19)35-25(23)26(33)31(28)16-17-8-4-3-5-9-17/h3-13,15H,2,14,16H2,1H3.
What are the key properties of 2-benzyl-7-chloro-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
2-benzyl-7-chloro-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione has a molecular weight of 484.94 g/mol, XLogP of 5.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-7-chloro-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is sourced from PubChem (CID 4208981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).