1,3-dihydroindol-2-one;1,2-dimethylimidazole

C13H15N3O — CID 143871997

IUPAC1,3-dihydroindol-2-one;1,2-dimethylimidazole
SMILESCc1nccn1C.O=C1Cc2ccccc2N1
InChIInChI=1S/C8H7NO.C5H8N2/c10-8-5-6-3-1-2-4-7(6)9-8;1-5-6-3-4-7(5)2/h1-4H,5H2,(H,9,10);3-4H,1-2H3
InChIKeyCPTGUOGDCRYDNY-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.91
Rot. Bonds

About 1,3-dihydroindol-2-one;1,2-dimethylimidazole

1,3-dihydroindol-2-one;1,2-dimethylimidazole (PubChem CID 143871997) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 1,3-dihydroindol-2-one;1,2-dimethylimidazole.

Molecular Properties

Compound Name1,3-dihydroindol-2-one;1,2-dimethylimidazole
PubChem CID143871997
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name1,3-dihydroindol-2-one;1,2-dimethylimidazole
SMILESCc1nccn1C.O=C1Cc2ccccc2N1
InChIInChI=1S/C8H7NO.C5H8N2/c10-8-5-6-3-1-2-4-7(6)9-8;1-5-6-3-4-7(5)2/h1-4H,5H2,(H,9,10);3-4H,1-2H3
InChIKeyCPTGUOGDCRYDNY-UHFFFAOYSA-N
XLogP1.91
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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acetic acid;1,3-dihydroindol-2-one
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1,3-dihydroindol-2-one;sulfamide
CID 160648154
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1,2-dimethylimidazole;urea
CID 174990589
1,2-dimethylimidazole;piperidine
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1,2-dimethylimidazole;trifluoroborane
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1,3-dihydroindol-2-one;ethane;(4Z)-1-methyl-5-methylidene-4-prop-2-enylidenepyrrolidin-2-one
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3,4-dihydro-1H-quinolin-2-one;ethane
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Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroindol-2-one;1,2-dimethylimidazole?
The IUPAC name of 1,3-dihydroindol-2-one;1,2-dimethylimidazole (CID 143871997) is 1,3-dihydroindol-2-one;1,2-dimethylimidazole.
What is the SMILES notation for 1,3-dihydroindol-2-one;1,2-dimethylimidazole?
The canonical SMILES for 1,3-dihydroindol-2-one;1,2-dimethylimidazole is Cc1nccn1C.O=C1Cc2ccccc2N1.
What is the InChIKey of 1,3-dihydroindol-2-one;1,2-dimethylimidazole?
The InChIKey is CPTGUOGDCRYDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO.C5H8N2/c10-8-5-6-3-1-2-4-7(6)9-8;1-5-6-3-4-7(5)2/h1-4H,5H2,(H,9,10);3-4H,1-2H3.
What are the key properties of 1,3-dihydroindol-2-one;1,2-dimethylimidazole?
1,3-dihydroindol-2-one;1,2-dimethylimidazole has a molecular weight of 229.28 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroindol-2-one;1,2-dimethylimidazole is sourced from PubChem (CID 143871997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).