10-nitro-1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,6-dione

C12H10N2O4 — CID 67284922

IUPAC10-nitro-1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,6-dione
SMILESO=C1CCN2C(=O)c3cccc([N+](=O)[O-])c3C2C1
InChIInChI=1S/C12H10N2O4/c15-7-4-5-13-10(6-7)11-8(12(13)16)2-1-3-9(11)14(17)18/h1-3,10H,4-6H2
InChIKeyQQJCYBHTQWLEEO-UHFFFAOYSA-N
MW246.22 g/mol
LogP1.45
Rot. Bonds1

About 10-nitro-1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,6-dione

10-nitro-1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,6-dione (PubChem CID 67284922) has the molecular formula C12H10N2O4 and a molecular weight of 246.22 g/mol. Its IUPAC name is 10-nitro-1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,6-dione.

Molecular Properties

Compound Name10-nitro-1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,6-dione
PubChem CID67284922
Molecular FormulaC12H10N2O4
Molecular Weight246.22 g/mol
Exact Mass246.06
IUPAC Name10-nitro-1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,6-dione
SMILESO=C1CCN2C(=O)c3cccc([N+](=O)[O-])c3C2C1
InChIInChI=1S/C12H10N2O4/c15-7-4-5-13-10(6-7)11-8(12(13)16)2-1-3-9(11)14(17)18/h1-3,10H,4-6H2
InChIKeyQQJCYBHTQWLEEO-UHFFFAOYSA-N
XLogP1.45
TPSA80.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-4-nitro-2-[(3S)-2-oxoazepan-3-yl]-3H-isoindol-1-one
CID 145194144
2-(2-hydroxy-6-oxopiperidin-3-yl)-4-nitro-3H-isoindol-1-one
CID 154548409
2-cyclopropyl-1,3-dinitrobenzene
CID 5122445
2-(2,4-dioxocyclohexyl)-4-nitroisoindole-1,3-dione
CID 159665010
4-nitro-2-[(1R)-2-oxocycloheptyl]isoindole-1,3-dione
CID 149005711
4-nitro-2-benzofuran-1,3-dione
CID 21631
2-[(3R)-2,6-dioxopiperidin-3-yl]-4-nitroisoindole-1,3-dione
CID 20581734
2-oxo-2-(5-oxo-1,2,3,9b-tetrahydropyrrolo[2,1-a]isoindol-9-yl)acetic acid
CID 22385731
2-hydroxy-4-nitro-2,3-dihydroinden-1-one
CID 154380962
3-amino-1-[3-(7-nitro-3-oxo-1H-isoindol-2-yl)-2,6-dioxopiperidin-1-yl]piperidine-2,6-dione;hydrochloride
CID 67061125
3-(2-methyl-3-nitrophenoxy)cyclopentan-1-one
CID 79643216
3-methyl-5-nitro-3,4-dihydro-2H-naphthalen-1-one
CID 22719036

Frequently Asked Questions

What is the IUPAC name of 10-nitro-1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,6-dione?
The IUPAC name of 10-nitro-1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,6-dione (CID 67284922) is 10-nitro-1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,6-dione.
What is the SMILES notation for 10-nitro-1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,6-dione?
The canonical SMILES for 10-nitro-1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,6-dione is O=C1CCN2C(=O)c3cccc([N+](=O)[O-])c3C2C1.
What is the InChIKey of 10-nitro-1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,6-dione?
The InChIKey is QQJCYBHTQWLEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O4/c15-7-4-5-13-10(6-7)11-8(12(13)16)2-1-3-9(11)14(17)18/h1-3,10H,4-6H2.
What are the key properties of 10-nitro-1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,6-dione?
10-nitro-1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,6-dione has a molecular weight of 246.22 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-nitro-1,3,4,10b-tetrahydropyrido[1,2-b]isoindole-2,6-dione is sourced from PubChem (CID 67284922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).