(10bR)-10b-diethoxyphosphorylisoindolo[2,1-a]indole-6,11-dione

C19H18NO5P — CID 139190904

IUPAC(10bR)-10b-diethoxyphosphorylisoindolo[2,1-a]indole-6,11-dione
SMILESCCOP(=O)(OCC)[C@]12C(=O)c3ccccc3N1C(=O)c1ccccc12
InChIInChI=1S/C19H18NO5P/c1-3-24-26(23,25-4-2)19-15-11-7-5-9-13(15)18(22)20(19)16-12-8-6-10-14(16)17(19)21/h5-12H,3-4H2,1-2H3/t19-/m1/s1
InChIKeyFSZZDKBGIBJNQX-LJQANCHMSA-N
MW371.33 g/mol
LogP3.96
Rot. Bonds5

About (10bR)-10b-diethoxyphosphorylisoindolo[2,1-a]indole-6,11-dione

(10bR)-10b-diethoxyphosphorylisoindolo[2,1-a]indole-6,11-dione (PubChem CID 139190904) has the molecular formula C19H18NO5P and a molecular weight of 371.33 g/mol. Its IUPAC name is (10bR)-10b-diethoxyphosphorylisoindolo[2,1-a]indole-6,11-dione.

Molecular Properties

Compound Name(10bR)-10b-diethoxyphosphorylisoindolo[2,1-a]indole-6,11-dione
PubChem CID139190904
Molecular FormulaC19H18NO5P
Molecular Weight371.33 g/mol
Exact Mass371.09
IUPAC Name(10bR)-10b-diethoxyphosphorylisoindolo[2,1-a]indole-6,11-dione
SMILESCCOP(=O)(OCC)[C@]12C(=O)c3ccccc3N1C(=O)c1ccccc12
InChIInChI=1S/C19H18NO5P/c1-3-24-26(23,25-4-2)19-15-11-7-5-9-13(15)18(22)20(19)16-12-8-6-10-14(16)17(19)21/h5-12H,3-4H2,1-2H3/t19-/m1/s1
InChIKeyFSZZDKBGIBJNQX-LJQANCHMSA-N
XLogP3.96
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.33
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(10bR,11S)-11-(4-hydroxybut-1-ynyl)-10b-methyl-11H-isoindolo[2,1-a]indol-6-one
CID 135033148
6-anilino-6a-methylisoindolo[2,1-a]quinazoline-5,11-dione
CID 57387965
(1,3-dioxoisoindol-2-yl)methyl-ethoxyphosphinic acid
CID 11174264
(6aR)-6a-hydroxyisoindolo[2,1-a][3,1]benzoxazine-5,11-dione
CID 710315
(3R)-3-diethoxyphosphoryl-3-(4-methoxyphenyl)-2H-isoindol-1-one
CID 132502408
(10bR,11S)-6-oxo-10b-(3-phenylmethoxypropyl)-11H-isoindolo[2,1-a]indole-11-carbonitrile
CID 134954136
6a-(2-chlorophenyl)-6H-isoindolo[2,1-a]quinazoline-5,11-dione
CID 134124391
2-[2-[chloro(ethoxy)phosphoryl]ethyl]isoindole-1,3-dione
CID 102021164
2-[ethoxy-(4-fluorophenyl)phosphoryl]isoindole-1,3-dione
CID 132541888
(11R)-11-ethoxy-5-methyl-11H-benzo[c][1]benzazepin-6-one
CID 76956927
2-(2-diethoxyphosphoryl-2,2-difluoroethyl)isoindole-1,3-dione
CID 86606190
acetic acid;(10bS)-10b,11-dimethylisoindolo[2,1-a]indol-11-id-6-one;palladium
CID 146166147

Frequently Asked Questions

What is the IUPAC name of (10bR)-10b-diethoxyphosphorylisoindolo[2,1-a]indole-6,11-dione?
The IUPAC name of (10bR)-10b-diethoxyphosphorylisoindolo[2,1-a]indole-6,11-dione (CID 139190904) is (10bR)-10b-diethoxyphosphorylisoindolo[2,1-a]indole-6,11-dione.
What is the SMILES notation for (10bR)-10b-diethoxyphosphorylisoindolo[2,1-a]indole-6,11-dione?
The canonical SMILES for (10bR)-10b-diethoxyphosphorylisoindolo[2,1-a]indole-6,11-dione is CCOP(=O)(OCC)[C@]12C(=O)c3ccccc3N1C(=O)c1ccccc12.
What is the InChIKey of (10bR)-10b-diethoxyphosphorylisoindolo[2,1-a]indole-6,11-dione?
The InChIKey is FSZZDKBGIBJNQX-LJQANCHMSA-N. The full InChI is InChI=1S/C19H18NO5P/c1-3-24-26(23,25-4-2)19-15-11-7-5-9-13(15)18(22)20(19)16-12-8-6-10-14(16)17(19)21/h5-12H,3-4H2,1-2H3/t19-/m1/s1.
What are the key properties of (10bR)-10b-diethoxyphosphorylisoindolo[2,1-a]indole-6,11-dione?
(10bR)-10b-diethoxyphosphorylisoindolo[2,1-a]indole-6,11-dione has a molecular weight of 371.33 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (10bR)-10b-diethoxyphosphorylisoindolo[2,1-a]indole-6,11-dione is sourced from PubChem (CID 139190904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).