3-hydroxy-4-(9-octylcarbazol-2-yl)oxy-1,2-dihydropyrrol-5-one

C24H28N2O3 — CID 56669537

IUPAC3-hydroxy-4-(9-octylcarbazol-2-yl)oxy-1,2-dihydropyrrol-5-one
SMILESCCCCCCCCn1c2ccccc2c2ccc(OC3=C(O)CNC3=O)cc21
InChIInChI=1S/C24H28N2O3/c1-2-3-4-5-6-9-14-26-20-11-8-7-10-18(20)19-13-12-17(15-21(19)26)29-23-22(27)16-25-24(23)28/h7-8,10-13,15,27H,2-6,9,14,16H2,1H3,(H,25,28)
InChIKeyJDWJVCURCAJIMI-UHFFFAOYSA-N
MW392.50 g/mol
LogP5.43
Rot. Bonds9

About 3-hydroxy-4-(9-octylcarbazol-2-yl)oxy-1,2-dihydropyrrol-5-one

3-hydroxy-4-(9-octylcarbazol-2-yl)oxy-1,2-dihydropyrrol-5-one (PubChem CID 56669537) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 3-hydroxy-4-(9-octylcarbazol-2-yl)oxy-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name3-hydroxy-4-(9-octylcarbazol-2-yl)oxy-1,2-dihydropyrrol-5-one
PubChem CID56669537
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name3-hydroxy-4-(9-octylcarbazol-2-yl)oxy-1,2-dihydropyrrol-5-one
SMILESCCCCCCCCn1c2ccccc2c2ccc(OC3=C(O)CNC3=O)cc21
InChIInChI=1S/C24H28N2O3/c1-2-3-4-5-6-9-14-26-20-11-8-7-10-18(20)19-13-12-17(15-21(19)26)29-23-22(27)16-25-24(23)28/h7-8,10-13,15,27H,2-6,9,14,16H2,1H3,(H,25,28)
InChIKeyJDWJVCURCAJIMI-UHFFFAOYSA-N
XLogP5.43
TPSA63.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.50
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-(9-octylcarbazol-2-yl)oxy-1,2-dihydropyrrol-5-one?
The IUPAC name of 3-hydroxy-4-(9-octylcarbazol-2-yl)oxy-1,2-dihydropyrrol-5-one (CID 56669537) is 3-hydroxy-4-(9-octylcarbazol-2-yl)oxy-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 3-hydroxy-4-(9-octylcarbazol-2-yl)oxy-1,2-dihydropyrrol-5-one?
The canonical SMILES for 3-hydroxy-4-(9-octylcarbazol-2-yl)oxy-1,2-dihydropyrrol-5-one is CCCCCCCCn1c2ccccc2c2ccc(OC3=C(O)CNC3=O)cc21.
What is the InChIKey of 3-hydroxy-4-(9-octylcarbazol-2-yl)oxy-1,2-dihydropyrrol-5-one?
The InChIKey is JDWJVCURCAJIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-2-3-4-5-6-9-14-26-20-11-8-7-10-18(20)19-13-12-17(15-21(19)26)29-23-22(27)16-25-24(23)28/h7-8,10-13,15,27H,2-6,9,14,16H2,1H3,(H,25,28).
What are the key properties of 3-hydroxy-4-(9-octylcarbazol-2-yl)oxy-1,2-dihydropyrrol-5-one?
3-hydroxy-4-(9-octylcarbazol-2-yl)oxy-1,2-dihydropyrrol-5-one has a molecular weight of 392.50 g/mol, XLogP of 5.43, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-(9-octylcarbazol-2-yl)oxy-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 56669537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).