2-[4-(8-hydroxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)butyl]isoindole-1,3-dione

C23H24N2O3 — CID 15662364

IUPAC2-[4-(8-hydroxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)butyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCCN1CC2Cc3cccc(O)c3C2C1
InChIInChI=1S/C23H24N2O3/c26-20-9-5-6-15-12-16-13-24(14-19(16)21(15)20)10-3-4-11-25-22(27)17-7-1-2-8-18(17)23(25)28/h1-2,5-9,16,19,26H,3-4,10-14H2
InChIKeyMAPHFIVXCZRENI-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.04
Rot. Bonds5

About 2-[4-(8-hydroxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)butyl]isoindole-1,3-dione

2-[4-(8-hydroxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)butyl]isoindole-1,3-dione (PubChem CID 15662364) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[4-(8-hydroxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)butyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-(8-hydroxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)butyl]isoindole-1,3-dione
PubChem CID15662364
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name2-[4-(8-hydroxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)butyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCCN1CC2Cc3cccc(O)c3C2C1
InChIInChI=1S/C23H24N2O3/c26-20-9-5-6-15-12-16-13-24(14-19(16)21(15)20)10-3-4-11-25-22(27)17-7-1-2-8-18(17)23(25)28/h1-2,5-9,16,19,26H,3-4,10-14H2
InChIKeyMAPHFIVXCZRENI-UHFFFAOYSA-N
XLogP3.04
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-[3-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]propyl]isoindole-1,3-dione
CID 103734065
2-[4-(1,3-dihydroisoindol-2-yl)butyl]isoindole-1,3-dione
CID 127052466
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-[5-(3,4-dihydro-1H-isoquinolin-2-yl)pentyl]isoindole-1,3-dione
CID 71606440
2-[4-[3-(hydroxymethyl)pyrrolidin-1-yl]butyl]isoindole-1,3-dione
CID 111442706
8-[5-(8-methoxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)pentyl]-8-azaspiro[4.5]decane-7,9-dione
CID 15662368
(4aR,9aR)-2-propyl-1,3,4,4a,9,9a-hexahydroindeno[2,1-c]pyridin-5-ol;hydrobromide
CID 67754649
2-[4-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]butyl]isoindole-1,3-dione
CID 51531398
2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione
CID 12612173
2-(4-hydroxybutyl)isoindole-1,3-dione;2-(3-hydroxypropyl)isoindole-1,3-dione
CID 21468228
2-[3-(4-acetylpiperazin-1-yl)propyl]isoindole-1,3-dione
CID 29230770
2-[3-(3-fluoropyrrolidin-1-yl)propyl]isoindole-1,3-dione
CID 175208589

Frequently Asked Questions

What is the IUPAC name of 2-[4-(8-hydroxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)butyl]isoindole-1,3-dione?
The IUPAC name of 2-[4-(8-hydroxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)butyl]isoindole-1,3-dione (CID 15662364) is 2-[4-(8-hydroxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)butyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[4-(8-hydroxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)butyl]isoindole-1,3-dione?
The canonical SMILES for 2-[4-(8-hydroxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)butyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCCCN1CC2Cc3cccc(O)c3C2C1.
What is the InChIKey of 2-[4-(8-hydroxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)butyl]isoindole-1,3-dione?
The InChIKey is MAPHFIVXCZRENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c26-20-9-5-6-15-12-16-13-24(14-19(16)21(15)20)10-3-4-11-25-22(27)17-7-1-2-8-18(17)23(25)28/h1-2,5-9,16,19,26H,3-4,10-14H2.
What are the key properties of 2-[4-(8-hydroxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)butyl]isoindole-1,3-dione?
2-[4-(8-hydroxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)butyl]isoindole-1,3-dione has a molecular weight of 376.46 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(8-hydroxy-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-2-yl)butyl]isoindole-1,3-dione is sourced from PubChem (CID 15662364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).