(1R)-1'-methyl-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

C22H16N2O4 — CID 2239315

IUPAC(1R)-1'-methyl-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESC=CCN1C(=O)c2oc3ccccc3c(=O)c2[C@]12C(=O)N(C)c1ccccc12
InChIInChI=1S/C22H16N2O4/c1-3-12-24-20(26)19-17(18(25)13-8-4-7-11-16(13)28-19)22(24)14-9-5-6-10-15(14)23(2)21(22)27/h3-11H,1,12H2,2H3/t22-/m1/s1
InChIKeyLITFXDJTTNGNEN-JOCHJYFZSA-N
MW372.38 g/mol
LogP2.65
Rot. Bonds2

About (1R)-1'-methyl-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

(1R)-1'-methyl-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (PubChem CID 2239315) has the molecular formula C22H16N2O4 and a molecular weight of 372.38 g/mol. Its IUPAC name is (1R)-1'-methyl-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

Molecular Properties

Compound Name(1R)-1'-methyl-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
PubChem CID2239315
Molecular FormulaC22H16N2O4
Molecular Weight372.38 g/mol
Exact Mass372.11
IUPAC Name(1R)-1'-methyl-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
SMILESC=CCN1C(=O)c2oc3ccccc3c(=O)c2[C@]12C(=O)N(C)c1ccccc12
InChIInChI=1S/C22H16N2O4/c1-3-12-24-20(26)19-17(18(25)13-8-4-7-11-16(13)28-19)22(24)14-9-5-6-10-15(14)23(2)21(22)27/h3-11H,1,12H2,2H3/t22-/m1/s1
InChIKeyLITFXDJTTNGNEN-JOCHJYFZSA-N
XLogP2.65
TPSA70.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1',6,7-trimethyl-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18869537
2-(3-methoxypropyl)-1'-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 3443825
1'-ethyl-7-methyl-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18868683
6,7-dimethyl-2-prop-2-enyl-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18869576
(1S)-1'-ethyl-2-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 40849899
7-methyl-1'-[(3-methylphenyl)methyl]-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18869421
7-chloro-1'-[(4-methylphenyl)methyl]-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18867883
7-bromo-2-butyl-1'-methylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 4262004
7-chloro-1'-[(2-methylphenyl)methyl]-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18868062
6,7-dimethyl-1'-[(3-methylphenyl)methyl]-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 18869929
(1S)-2-(2-methoxyethyl)-7-methyl-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 40871103
(1R)-2-(3-hydroxypropyl)-1',6,7-trimethylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
CID 40643340

Frequently Asked Questions

What is the IUPAC name of (1R)-1'-methyl-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The IUPAC name of (1R)-1'-methyl-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (CID 2239315) is (1R)-1'-methyl-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.
What is the SMILES notation for (1R)-1'-methyl-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The canonical SMILES for (1R)-1'-methyl-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is C=CCN1C(=O)c2oc3ccccc3c(=O)c2[C@]12C(=O)N(C)c1ccccc12.
What is the InChIKey of (1R)-1'-methyl-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
The InChIKey is LITFXDJTTNGNEN-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H16N2O4/c1-3-12-24-20(26)19-17(18(25)13-8-4-7-11-16(13)28-19)22(24)14-9-5-6-10-15(14)23(2)21(22)27/h3-11H,1,12H2,2H3/t22-/m1/s1.
What are the key properties of (1R)-1'-methyl-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?
(1R)-1'-methyl-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione has a molecular weight of 372.38 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1'-methyl-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is sourced from PubChem (CID 2239315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).