3-(2,3-dihydroindol-1-yl)-1-hexyl-4-phenylpyrrole-2,5-dione

C24H26N2O2 — CID 110559989

IUPAC3-(2,3-dihydroindol-1-yl)-1-hexyl-4-phenylpyrrole-2,5-dione
SMILESCCCCCCN1C(=O)C(c2ccccc2)=C(N2CCc3ccccc32)C1=O
InChIInChI=1S/C24H26N2O2/c1-2-3-4-10-16-26-23(27)21(19-12-6-5-7-13-19)22(24(26)28)25-17-15-18-11-8-9-14-20(18)25/h5-9,11-14H,2-4,10,15-17H2,1H3
InChIKeyJRWOPZZEMMKARF-UHFFFAOYSA-N
MW374.48 g/mol
LogP4.41
Rot. Bonds7

About 3-(2,3-dihydroindol-1-yl)-1-hexyl-4-phenylpyrrole-2,5-dione

3-(2,3-dihydroindol-1-yl)-1-hexyl-4-phenylpyrrole-2,5-dione (PubChem CID 110559989) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-yl)-1-hexyl-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-yl)-1-hexyl-4-phenylpyrrole-2,5-dione
PubChem CID110559989
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC Name3-(2,3-dihydroindol-1-yl)-1-hexyl-4-phenylpyrrole-2,5-dione
SMILESCCCCCCN1C(=O)C(c2ccccc2)=C(N2CCc3ccccc32)C1=O
InChIInChI=1S/C24H26N2O2/c1-2-3-4-10-16-26-23(27)21(19-12-6-5-7-13-19)22(24(26)28)25-17-15-18-11-8-9-14-20(18)25/h5-9,11-14H,2-4,10,15-17H2,1H3
InChIKeyJRWOPZZEMMKARF-UHFFFAOYSA-N
XLogP4.41
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-decyl-3-(3,4-dihydro-2H-quinolin-1-yl)-4-phenylpyrrole-2,5-dione
CID 110560027
3-(2,3-dihydroindol-1-yl)-4-phenyl-1-propylpyrrole-2,5-dione
CID 110559397
N-[4-[4-(2,3-dihydroindol-1-yl)-2,5-dioxo-1-pentylpyrrol-3-yl]phenyl]acetamide
CID 110562565
1-(3-butoxypropyl)-3-(2,3-dihydroindol-1-yl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110573052
N-[4-[4-(3,4-dihydro-2H-quinolin-1-yl)-2,5-dioxo-1-pentylpyrrol-3-yl]phenyl]acetamide
CID 110562563
3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-pentyl-4-phenylpyrrole-2,5-dione
CID 110559298
1-butyl-3-(3,4-dihydro-2H-quinolin-1-yl)-4-(4-ethoxyphenyl)pyrrole-2,5-dione
CID 110546556
3-(2,3-dihydroindol-1-yl)-4-(4-ethoxyphenyl)-1-(3-ethoxypropyl)pyrrole-2,5-dione
CID 110547121
3-(2,3-dihydroindol-1-yl)-4-phenyl-1-prop-2-enylpyrrole-2,5-dione
CID 110560066
3-(3,4-dihydro-2H-quinolin-1-yl)-1-hexyl-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110566334
3-(2,3-dihydroindol-1-yl)-4-(4-methylphenyl)-1-(3-propan-2-yloxypropyl)pyrrole-2,5-dione
CID 110572775
3-(3,4-dihydro-2H-quinolin-1-yl)-4-(2,4-dimethylphenyl)-1-hexylpyrrole-2,5-dione
CID 110578990

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-yl)-1-hexyl-4-phenylpyrrole-2,5-dione?
The IUPAC name of 3-(2,3-dihydroindol-1-yl)-1-hexyl-4-phenylpyrrole-2,5-dione (CID 110559989) is 3-(2,3-dihydroindol-1-yl)-1-hexyl-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 3-(2,3-dihydroindol-1-yl)-1-hexyl-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 3-(2,3-dihydroindol-1-yl)-1-hexyl-4-phenylpyrrole-2,5-dione is CCCCCCN1C(=O)C(c2ccccc2)=C(N2CCc3ccccc32)C1=O.
What is the InChIKey of 3-(2,3-dihydroindol-1-yl)-1-hexyl-4-phenylpyrrole-2,5-dione?
The InChIKey is JRWOPZZEMMKARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-2-3-4-10-16-26-23(27)21(19-12-6-5-7-13-19)22(24(26)28)25-17-15-18-11-8-9-14-20(18)25/h5-9,11-14H,2-4,10,15-17H2,1H3.
What are the key properties of 3-(2,3-dihydroindol-1-yl)-1-hexyl-4-phenylpyrrole-2,5-dione?
3-(2,3-dihydroindol-1-yl)-1-hexyl-4-phenylpyrrole-2,5-dione has a molecular weight of 374.48 g/mol, XLogP of 4.41, 7 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)-1-hexyl-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 110559989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).