7-fluoro-5-(3-nitropropyl)-1,3-dihydroindol-2-one

C11H11FN2O3 — CID 69468406

IUPAC7-fluoro-5-(3-nitropropyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(CCC[N+](=O)[O-])cc(F)c2N1
InChIInChI=1S/C11H11FN2O3/c12-9-5-7(2-1-3-14(16)17)4-8-6-10(15)13-11(8)9/h4-5H,1-3,6H2,(H,13,15)
InChIKeyNDOJBRMFGWVWQV-UHFFFAOYSA-N
MW238.22 g/mol
LogP1.53
Rot. Bonds4

About 7-fluoro-5-(3-nitropropyl)-1,3-dihydroindol-2-one

7-fluoro-5-(3-nitropropyl)-1,3-dihydroindol-2-one (PubChem CID 69468406) has the molecular formula C11H11FN2O3 and a molecular weight of 238.22 g/mol. Its IUPAC name is 7-fluoro-5-(3-nitropropyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-fluoro-5-(3-nitropropyl)-1,3-dihydroindol-2-one
PubChem CID69468406
Molecular FormulaC11H11FN2O3
Molecular Weight238.22 g/mol
Exact Mass238.08
IUPAC Name7-fluoro-5-(3-nitropropyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(CCC[N+](=O)[O-])cc(F)c2N1
InChIInChI=1S/C11H11FN2O3/c12-9-5-7(2-1-3-14(16)17)4-8-6-10(15)13-11(8)9/h4-5H,1-3,6H2,(H,13,15)
InChIKeyNDOJBRMFGWVWQV-UHFFFAOYSA-N
XLogP1.53
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-(3-nitropropyl)-1,3-dihydroindol-2-one?
The IUPAC name of 7-fluoro-5-(3-nitropropyl)-1,3-dihydroindol-2-one (CID 69468406) is 7-fluoro-5-(3-nitropropyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-fluoro-5-(3-nitropropyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 7-fluoro-5-(3-nitropropyl)-1,3-dihydroindol-2-one is O=C1Cc2cc(CCC[N+](=O)[O-])cc(F)c2N1.
What is the InChIKey of 7-fluoro-5-(3-nitropropyl)-1,3-dihydroindol-2-one?
The InChIKey is NDOJBRMFGWVWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O3/c12-9-5-7(2-1-3-14(16)17)4-8-6-10(15)13-11(8)9/h4-5H,1-3,6H2,(H,13,15).
What are the key properties of 7-fluoro-5-(3-nitropropyl)-1,3-dihydroindol-2-one?
7-fluoro-5-(3-nitropropyl)-1,3-dihydroindol-2-one has a molecular weight of 238.22 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-(3-nitropropyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 69468406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).