(3aS,8bR)-1-diphenylphosphoryl-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one

C23H20NO2P — CID 132505935

IUPAC(3aS,8bR)-1-diphenylphosphoryl-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one
SMILESO=C1C[C@@H]2Cc3ccccc3[C@@H]2N1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20NO2P/c25-22-16-18-15-17-9-7-8-14-21(17)23(18)24(22)27(26,19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-14,18,23H,15-16H2/t18-,23+/m0/s1
InChIKeyJZYBFBJYKBQPOR-FDDCHVKYSA-N
MW373.39 g/mol
LogP4.06
Rot. Bonds3

About (3aS,8bR)-1-diphenylphosphoryl-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one

(3aS,8bR)-1-diphenylphosphoryl-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one (PubChem CID 132505935) has the molecular formula C23H20NO2P and a molecular weight of 373.39 g/mol. Its IUPAC name is (3aS,8bR)-1-diphenylphosphoryl-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one.

Molecular Properties

Compound Name(3aS,8bR)-1-diphenylphosphoryl-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one
PubChem CID132505935
Molecular FormulaC23H20NO2P
Molecular Weight373.39 g/mol
Exact Mass373.12
IUPAC Name(3aS,8bR)-1-diphenylphosphoryl-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one
SMILESO=C1C[C@@H]2Cc3ccccc3[C@@H]2N1P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H20NO2P/c25-22-16-18-15-17-9-7-8-14-21(17)23(18)24(22)27(26,19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-14,18,23H,15-16H2/t18-,23+/m0/s1
InChIKeyJZYBFBJYKBQPOR-FDDCHVKYSA-N
XLogP4.06
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3aS,8bR)-1-diphenylphosphoryl-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one?
The IUPAC name of (3aS,8bR)-1-diphenylphosphoryl-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one (CID 132505935) is (3aS,8bR)-1-diphenylphosphoryl-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one.
What is the SMILES notation for (3aS,8bR)-1-diphenylphosphoryl-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one?
The canonical SMILES for (3aS,8bR)-1-diphenylphosphoryl-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one is O=C1C[C@@H]2Cc3ccccc3[C@@H]2N1P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (3aS,8bR)-1-diphenylphosphoryl-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one?
The InChIKey is JZYBFBJYKBQPOR-FDDCHVKYSA-N. The full InChI is InChI=1S/C23H20NO2P/c25-22-16-18-15-17-9-7-8-14-21(17)23(18)24(22)27(26,19-10-3-1-4-11-19)20-12-5-2-6-13-20/h1-14,18,23H,15-16H2/t18-,23+/m0/s1.
What are the key properties of (3aS,8bR)-1-diphenylphosphoryl-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one?
(3aS,8bR)-1-diphenylphosphoryl-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one has a molecular weight of 373.39 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,8bR)-1-diphenylphosphoryl-3,3a,4,8b-tetrahydroindeno[1,2-b]pyrrol-2-one is sourced from PubChem (CID 132505935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).