5-(1-ethyl-2-oxoimidazolidin-4-yl)-1,3-dihydroindol-2-one

C13H15N3O2 — CID 116980989

IUPAC5-(1-ethyl-2-oxoimidazolidin-4-yl)-1,3-dihydroindol-2-one
SMILESCCN1CC(c2ccc3c(c2)CC(=O)N3)NC1=O
InChIInChI=1S/C13H15N3O2/c1-2-16-7-11(15-13(16)18)8-3-4-10-9(5-8)6-12(17)14-10/h3-5,11H,2,6-7H2,1H3,(H,14,17)(H,15,18)
InChIKeyPJOZBQSJMKLROJ-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.27
Rot. Bonds2

About 5-(1-ethyl-2-oxoimidazolidin-4-yl)-1,3-dihydroindol-2-one

5-(1-ethyl-2-oxoimidazolidin-4-yl)-1,3-dihydroindol-2-one (PubChem CID 116980989) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 5-(1-ethyl-2-oxoimidazolidin-4-yl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(1-ethyl-2-oxoimidazolidin-4-yl)-1,3-dihydroindol-2-one
PubChem CID116980989
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name5-(1-ethyl-2-oxoimidazolidin-4-yl)-1,3-dihydroindol-2-one
SMILESCCN1CC(c2ccc3c(c2)CC(=O)N3)NC1=O
InChIInChI=1S/C13H15N3O2/c1-2-16-7-11(15-13(16)18)8-3-4-10-9(5-8)6-12(17)14-10/h3-5,11H,2,6-7H2,1H3,(H,14,17)(H,15,18)
InChIKeyPJOZBQSJMKLROJ-UHFFFAOYSA-N
XLogP1.27
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-cyclopentyl-1,3-dihydroindol-2-one
CID 23363851
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-ethylimidazolidin-2-one
CID 116980972
5-thiomorpholin-3-yl-1,3-dihydroindol-2-one
CID 82290766
5-pyrrolidin-1-yl-1,3-dihydroindol-2-one
CID 23363883
5-(3-oxopiperazin-2-yl)-1,3-dihydroindol-2-one
CID 82289120
5-(methoxymethyl)-1,3-dihydroindol-2-one
CID 22154148
ethane;5-methyl-1,3-dihydroindol-2-one
CID 91234498
5-(1-phenyl-4,5-dihydrotriazol-4-yl)-1,3-dihydroindol-2-one
CID 123909076
1-(2-oxo-1,3-dihydroindol-5-yl)piperidine-3-carboxylic acid
CID 117099453
1-ethyl-4-(2-methylphenyl)imidazolidin-2-one
CID 116981049
5-butyl-1,3-dihydroindol-2-one
CID 10219749
5-(2-methylmorpholin-3-yl)-1,3-dihydroindol-2-one
CID 82289606

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethyl-2-oxoimidazolidin-4-yl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(1-ethyl-2-oxoimidazolidin-4-yl)-1,3-dihydroindol-2-one (CID 116980989) is 5-(1-ethyl-2-oxoimidazolidin-4-yl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(1-ethyl-2-oxoimidazolidin-4-yl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(1-ethyl-2-oxoimidazolidin-4-yl)-1,3-dihydroindol-2-one is CCN1CC(c2ccc3c(c2)CC(=O)N3)NC1=O.
What is the InChIKey of 5-(1-ethyl-2-oxoimidazolidin-4-yl)-1,3-dihydroindol-2-one?
The InChIKey is PJOZBQSJMKLROJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-2-16-7-11(15-13(16)18)8-3-4-10-9(5-8)6-12(17)14-10/h3-5,11H,2,6-7H2,1H3,(H,14,17)(H,15,18).
What are the key properties of 5-(1-ethyl-2-oxoimidazolidin-4-yl)-1,3-dihydroindol-2-one?
5-(1-ethyl-2-oxoimidazolidin-4-yl)-1,3-dihydroindol-2-one has a molecular weight of 245.28 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethyl-2-oxoimidazolidin-4-yl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 116980989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).