2,3-dihydroindol-1-yl-(4-methylphenyl)methanone

C16H15NO — CID 746888

IUPAC2,3-dihydroindol-1-yl-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C16H15NO/c1-12-6-8-14(9-7-12)16(18)17-11-10-13-4-2-3-5-15(13)17/h2-9H,10-11H2,1H3
InChIKeyHHQOFVLYUPEKNF-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.20
Rot. Bonds1

About 2,3-dihydroindol-1-yl-(4-methylphenyl)methanone

2,3-dihydroindol-1-yl-(4-methylphenyl)methanone (PubChem CID 746888) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-(4-methylphenyl)methanone.

Molecular Properties

Compound Name2,3-dihydroindol-1-yl-(4-methylphenyl)methanone
PubChem CID746888
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name2,3-dihydroindol-1-yl-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCc3ccccc32)cc1
InChIInChI=1S/C16H15NO/c1-12-6-8-14(9-7-12)16(18)17-11-10-13-4-2-3-5-15(13)17/h2-9H,10-11H2,1H3
InChIKeyHHQOFVLYUPEKNF-UHFFFAOYSA-N
XLogP3.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-(4-methylphenyl)methanone?
The IUPAC name of 2,3-dihydroindol-1-yl-(4-methylphenyl)methanone (CID 746888) is 2,3-dihydroindol-1-yl-(4-methylphenyl)methanone.
What is the SMILES notation for 2,3-dihydroindol-1-yl-(4-methylphenyl)methanone?
The canonical SMILES for 2,3-dihydroindol-1-yl-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCc3ccccc32)cc1.
What is the InChIKey of 2,3-dihydroindol-1-yl-(4-methylphenyl)methanone?
The InChIKey is HHQOFVLYUPEKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-12-6-8-14(9-7-12)16(18)17-11-10-13-4-2-3-5-15(13)17/h2-9H,10-11H2,1H3.
What are the key properties of 2,3-dihydroindol-1-yl-(4-methylphenyl)methanone?
2,3-dihydroindol-1-yl-(4-methylphenyl)methanone has a molecular weight of 237.30 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroindol-1-yl-(4-methylphenyl)methanone is sourced from PubChem (CID 746888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).