5-(3,6-dihydro-2H-pyridine-1-carbonyl)-1,3-dihydroindol-2-one

C14H14N2O2 — CID 113356774

IUPAC5-(3,6-dihydro-2H-pyridine-1-carbonyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(=O)N3CC=CCC3)ccc2N1
InChIInChI=1S/C14H14N2O2/c17-13-9-11-8-10(4-5-12(11)15-13)14(18)16-6-2-1-3-7-16/h1-2,4-5,8H,3,6-7,9H2,(H,15,17)
InChIKeyTWQARSLPNHBYSG-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.58
Rot. Bonds1

About 5-(3,6-dihydro-2H-pyridine-1-carbonyl)-1,3-dihydroindol-2-one

5-(3,6-dihydro-2H-pyridine-1-carbonyl)-1,3-dihydroindol-2-one (PubChem CID 113356774) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 5-(3,6-dihydro-2H-pyridine-1-carbonyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(3,6-dihydro-2H-pyridine-1-carbonyl)-1,3-dihydroindol-2-one
PubChem CID113356774
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name5-(3,6-dihydro-2H-pyridine-1-carbonyl)-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(C(=O)N3CC=CCC3)ccc2N1
InChIInChI=1S/C14H14N2O2/c17-13-9-11-8-10(4-5-12(11)15-13)14(18)16-6-2-1-3-7-16/h1-2,4-5,8H,3,6-7,9H2,(H,15,17)
InChIKeyTWQARSLPNHBYSG-UHFFFAOYSA-N
XLogP1.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2,6-dione
CID 102712522
5-(thiomorpholine-4-carbonyl)-1,3-dihydroindol-2-one
CID 113225087
5-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one
CID 110800434
5-(3,4-dimethylpiperazine-1-carbonyl)-1,3-dihydroindol-2-one
CID 103725306
5-[4-(aminomethyl)piperidine-1-carbonyl]-1,3-dihydroindol-2-one
CID 102711455
5-(3-amino-4-methylpyrrolidine-1-carbonyl)-1,3-dihydroindol-2-one
CID 103575914
5-[4-methyl-4-(methylamino)piperidine-1-carbonyl]-1,3-dihydroindol-2-one
CID 102711671
5-(3-hydroxy-3-methylpiperidine-1-carbonyl)-1,3-dihydroindol-2-one
CID 103878855
5-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]-1,3-dihydroindol-2-one
CID 110814055
5-(oxazinane-2-carbonyl)-1,3-dihydroindol-2-one
CID 102711392
5-(4-methylsulfonyl-1,4-diazepane-1-carbonyl)-1,3-dihydroindol-2-one
CID 110809888
5-(4-ethylsulfonyl-1,4-diazepane-1-carbonyl)-1,3-dihydroindol-2-one
CID 110810080

Frequently Asked Questions

What is the IUPAC name of 5-(3,6-dihydro-2H-pyridine-1-carbonyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(3,6-dihydro-2H-pyridine-1-carbonyl)-1,3-dihydroindol-2-one (CID 113356774) is 5-(3,6-dihydro-2H-pyridine-1-carbonyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(3,6-dihydro-2H-pyridine-1-carbonyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(3,6-dihydro-2H-pyridine-1-carbonyl)-1,3-dihydroindol-2-one is O=C1Cc2cc(C(=O)N3CC=CCC3)ccc2N1.
What is the InChIKey of 5-(3,6-dihydro-2H-pyridine-1-carbonyl)-1,3-dihydroindol-2-one?
The InChIKey is TWQARSLPNHBYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c17-13-9-11-8-10(4-5-12(11)15-13)14(18)16-6-2-1-3-7-16/h1-2,4-5,8H,3,6-7,9H2,(H,15,17).
What are the key properties of 5-(3,6-dihydro-2H-pyridine-1-carbonyl)-1,3-dihydroindol-2-one?
5-(3,6-dihydro-2H-pyridine-1-carbonyl)-1,3-dihydroindol-2-one has a molecular weight of 242.28 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,6-dihydro-2H-pyridine-1-carbonyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 113356774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).