(1R)-2-(3-hydroxypropyl)-1',6,7-trimethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

C24H22N2O5 — CID 40643340

IUPAC(1R)-2-(3-hydroxypropyl)-1',6,7-trimethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESCc1cc2oc3c(c(=O)c2cc1C)[C@]1(C(=O)N(C)c2ccccc21)N(CCCO)C3=O
InChIInChI=1S/C24H22N2O5/c1-13-11-15-18(12-14(13)2)31-21-19(20(15)28)24(26(22(21)29)9-6-10-27)16-7-4-5-8-17(16)25(3)23(24)30/h4-5,7-8,11-12,27H,6,9-10H2,1-3H3/t24-/m1/s1
InChIKeyAFLLCCSKUDGOOH-XMMPIXPASA-N
MW418.45 g/mol
LogP2.47
Rot. Bonds3

About (1R)-2-(3-hydroxypropyl)-1',6,7-trimethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

(1R)-2-(3-hydroxypropyl)-1',6,7-trimethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (PubChem CID 40643340) has the molecular formula C24H22N2O5 and a molecular weight of 418.45 g/mol. Its IUPAC name is (1R)-2-(3-hydroxypropyl)-1',6,7-trimethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

Molecular Properties

Compound Name(1R)-2-(3-hydroxypropyl)-1',6,7-trimethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
PubChem CID40643340
Molecular FormulaC24H22N2O5
Molecular Weight418.45 g/mol
Exact Mass418.15
IUPAC Name(1R)-2-(3-hydroxypropyl)-1',6,7-trimethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESCc1cc2oc3c(c(=O)c2cc1C)[C@]1(C(=O)N(C)c2ccccc21)N(CCCO)C3=O
InChIInChI=1S/C24H22N2O5/c1-13-11-15-18(12-14(13)2)31-21-19(20(15)28)24(26(22(21)29)9-6-10-27)16-7-4-5-8-17(16)25(3)23(24)30/h4-5,7-8,11-12,27H,6,9-10H2,1-3H3/t24-/m1/s1
InChIKeyAFLLCCSKUDGOOH-XMMPIXPASA-N
XLogP2.47
TPSA91.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-hydroxypropyl)-6,7-dimethyl-1'-[(3-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18869928
1',6,7-trimethyl-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18869537
(1S)-1'-ethyl-2-(3-methoxypropyl)-6,7-dimethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 41068067
7-bromo-2-butyl-1'-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 4262004
(1R)-1'-ethyl-6,7-dimethyl-2-(3-propan-2-yloxypropyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 41068038
(1R)-1',7-dimethyl-2-(3-propan-2-yloxypropyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 41068064
2-(3-hydroxypropyl)-7-methyl-1'-[(3-methylphenyl)methyl]spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18869420
2-(3-methoxypropyl)-1'-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 3443825
(1S)-6,7-dimethyl-2-(2-phenylethyl)-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 27309202
1'-benzyl-6,7-dimethyl-2-(3-propan-2-yloxypropyl)spiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18869654
6,7-dimethyl-2-prop-2-enyl-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18869576
6,7-dimethyl-2-[(4-methylphenyl)methyl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18869581

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(3-hydroxypropyl)-1',6,7-trimethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The IUPAC name of (1R)-2-(3-hydroxypropyl)-1',6,7-trimethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (CID 40643340) is (1R)-2-(3-hydroxypropyl)-1',6,7-trimethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.
What is the SMILES notation for (1R)-2-(3-hydroxypropyl)-1',6,7-trimethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The canonical SMILES for (1R)-2-(3-hydroxypropyl)-1',6,7-trimethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is Cc1cc2oc3c(c(=O)c2cc1C)[C@]1(C(=O)N(C)c2ccccc21)N(CCCO)C3=O.
What is the InChIKey of (1R)-2-(3-hydroxypropyl)-1',6,7-trimethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The InChIKey is AFLLCCSKUDGOOH-XMMPIXPASA-N. The full InChI is InChI=1S/C24H22N2O5/c1-13-11-15-18(12-14(13)2)31-21-19(20(15)28)24(26(22(21)29)9-6-10-27)16-7-4-5-8-17(16)25(3)23(24)30/h4-5,7-8,11-12,27H,6,9-10H2,1-3H3/t24-/m1/s1.
What are the key properties of (1R)-2-(3-hydroxypropyl)-1',6,7-trimethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
(1R)-2-(3-hydroxypropyl)-1',6,7-trimethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione has a molecular weight of 418.45 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(3-hydroxypropyl)-1',6,7-trimethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is sourced from PubChem (CID 40643340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).