1,3-dihydroindol-2-one;ethane

C10H13NO — CID 54350510

IUPAC1,3-dihydroindol-2-one;ethane
SMILESCC.O=C1Cc2ccccc2N1
InChIInChI=1S/C8H7NO.C2H6/c10-8-5-6-3-1-2-4-7(6)9-8;1-2/h1-4H,5H2,(H,9,10);1-2H3
InChIKeyUFJUBKADWFDMSY-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.21
Rot. Bonds

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

1,3-dihydroindol-2-one;ethane (PubChem CID 54350510) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 1,3-dihydroindol-2-one;ethane.

Molecular Properties

Compound Name1,3-dihydroindol-2-one;ethane
PubChem CID54350510
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name1,3-dihydroindol-2-one;ethane
SMILESCC.O=C1Cc2ccccc2N1
InChIInChI=1S/C8H7NO.C2H6/c10-8-5-6-3-1-2-4-7(6)9-8;1-2/h1-4H,5H2,(H,9,10);1-2H3
InChIKeyUFJUBKADWFDMSY-UHFFFAOYSA-N
XLogP2.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 91147283
1,3-dihydroindol-2-one;1,2-dimethylimidazole
CID 143871997
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CID 137366999
4-acetyl-3,3-difluoro-1H-indol-2-one;1,3-dihydroindol-2-one
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CID 91307302
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Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroindol-2-one;ethane?
The IUPAC name of 1,3-dihydroindol-2-one;ethane (CID 54350510) is 1,3-dihydroindol-2-one;ethane.
What is the SMILES notation for 1,3-dihydroindol-2-one;ethane?
The canonical SMILES for 1,3-dihydroindol-2-one;ethane is CC.O=C1Cc2ccccc2N1.
What is the InChIKey of 1,3-dihydroindol-2-one;ethane?
The InChIKey is UFJUBKADWFDMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO.C2H6/c10-8-5-6-3-1-2-4-7(6)9-8;1-2/h1-4H,5H2,(H,9,10);1-2H3.
What are the key properties of 1,3-dihydroindol-2-one;ethane?
1,3-dihydroindol-2-one;ethane has a molecular weight of 163.22 g/mol, XLogP of 2.21, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroindol-2-one;ethane is sourced from PubChem (CID 54350510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).