3-(2,3-dihydroindol-1-yl)-4-phenyl-1-prop-2-enylpyrrole-2,5-dione

C21H18N2O2 — CID 110560066

IUPAC3-(2,3-dihydroindol-1-yl)-4-phenyl-1-prop-2-enylpyrrole-2,5-dione
SMILESC=CCN1C(=O)C(c2ccccc2)=C(N2CCc3ccccc32)C1=O
InChIInChI=1S/C21H18N2O2/c1-2-13-23-20(24)18(16-9-4-3-5-10-16)19(21(23)25)22-14-12-15-8-6-7-11-17(15)22/h2-11H,1,12-14H2
InChIKeyJBTINARZGTVWDF-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.02
Rot. Bonds4

About 3-(2,3-dihydroindol-1-yl)-4-phenyl-1-prop-2-enylpyrrole-2,5-dione

3-(2,3-dihydroindol-1-yl)-4-phenyl-1-prop-2-enylpyrrole-2,5-dione (PubChem CID 110560066) has the molecular formula C21H18N2O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-yl)-4-phenyl-1-prop-2-enylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-yl)-4-phenyl-1-prop-2-enylpyrrole-2,5-dione
PubChem CID110560066
Molecular FormulaC21H18N2O2
Molecular Weight330.39 g/mol
Exact Mass330.14
IUPAC Name3-(2,3-dihydroindol-1-yl)-4-phenyl-1-prop-2-enylpyrrole-2,5-dione
SMILESC=CCN1C(=O)C(c2ccccc2)=C(N2CCc3ccccc32)C1=O
InChIInChI=1S/C21H18N2O2/c1-2-13-23-20(24)18(16-9-4-3-5-10-16)19(21(23)25)22-14-12-15-8-6-7-11-17(15)22/h2-11H,1,12-14H2
InChIKeyJBTINARZGTVWDF-UHFFFAOYSA-N
XLogP3.02
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3-dihydroindol-1-yl)-4-(4-methoxyphenyl)-1-prop-2-enylpyrrole-2,5-dione
CID 110556829
3-(2,3-dihydroindol-1-yl)-4-phenyl-1-propylpyrrole-2,5-dione
CID 110559397
3-(2,3-dihydroindol-1-yl)-1-hexyl-4-phenylpyrrole-2,5-dione
CID 110559989
3-(2,3-dihydroindol-1-yl)-1,4-diphenylpyrrole-2,5-dione
CID 110561108
1-decyl-3-(3,4-dihydro-2H-quinolin-1-yl)-4-phenylpyrrole-2,5-dione
CID 110560027
3-(4-chlorophenyl)-4-(2,3-dihydroindol-1-yl)-1-[(4-methylphenyl)methyl]pyrrole-2,5-dione
CID 110569294
3-(4-chlorophenyl)-4-(2,3-dihydroindol-1-yl)-1-(2-morpholin-4-ylethyl)pyrrole-2,5-dione
CID 110570223
3-(2,3-dihydroindol-1-yl)-4-(4-nitrophenyl)-1-(pyridin-4-ylmethyl)pyrrole-2,5-dione
CID 110541189
3-(2,3-dihydroindol-1-yl)-1-(2-morpholin-4-ylethyl)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110541872
3-(2,3-dihydroindol-1-yl)-1-(furan-2-ylmethyl)-4-(4-nitrophenyl)pyrrole-2,5-dione
CID 110541099
N-[4-[4-(2,3-dihydroindol-1-yl)-1-(2-methylpropyl)-2,5-dioxopyrrol-3-yl]phenyl]acetamide
CID 110562986
3-(2,3-dihydroindol-1-yl)-4-(4-methylphenyl)-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione
CID 110572775

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-yl)-4-phenyl-1-prop-2-enylpyrrole-2,5-dione?
The IUPAC name of 3-(2,3-dihydroindol-1-yl)-4-phenyl-1-prop-2-enylpyrrole-2,5-dione (CID 110560066) is 3-(2,3-dihydroindol-1-yl)-4-phenyl-1-prop-2-enylpyrrole-2,5-dione.
What is the SMILES notation for 3-(2,3-dihydroindol-1-yl)-4-phenyl-1-prop-2-enylpyrrole-2,5-dione?
The canonical SMILES for 3-(2,3-dihydroindol-1-yl)-4-phenyl-1-prop-2-enylpyrrole-2,5-dione is C=CCN1C(=O)C(c2ccccc2)=C(N2CCc3ccccc32)C1=O.
What is the InChIKey of 3-(2,3-dihydroindol-1-yl)-4-phenyl-1-prop-2-enylpyrrole-2,5-dione?
The InChIKey is JBTINARZGTVWDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2/c1-2-13-23-20(24)18(16-9-4-3-5-10-16)19(21(23)25)22-14-12-15-8-6-7-11-17(15)22/h2-11H,1,12-14H2.
What are the key properties of 3-(2,3-dihydroindol-1-yl)-4-phenyl-1-prop-2-enylpyrrole-2,5-dione?
3-(2,3-dihydroindol-1-yl)-4-phenyl-1-prop-2-enylpyrrole-2,5-dione has a molecular weight of 330.39 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-yl)-4-phenyl-1-prop-2-enylpyrrole-2,5-dione is sourced from PubChem (CID 110560066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).