1-(2,3-dihydroindol-1-yl)-4-phenylbutan-1-one

C18H19NO — CID 807668

IUPAC1-(2,3-dihydroindol-1-yl)-4-phenylbutan-1-one
SMILESO=C(CCCc1ccccc1)N1CCc2ccccc21
InChIInChI=1S/C18H19NO/c20-18(12-6-9-15-7-2-1-3-8-15)19-14-13-16-10-4-5-11-17(16)19/h1-5,7-8,10-11H,6,9,12-14H2
InChIKeyHBPHSVFNSYNMKH-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.60
Rot. Bonds4

About 1-(2,3-dihydroindol-1-yl)-4-phenylbutan-1-one

1-(2,3-dihydroindol-1-yl)-4-phenylbutan-1-one (PubChem CID 807668) has the molecular formula C18H19NO and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-4-phenylbutan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-4-phenylbutan-1-one
PubChem CID807668
Molecular FormulaC18H19NO
Molecular Weight265.36 g/mol
Exact Mass265.15
IUPAC Name1-(2,3-dihydroindol-1-yl)-4-phenylbutan-1-one
SMILESO=C(CCCc1ccccc1)N1CCc2ccccc21
InChIInChI=1S/C18H19NO/c20-18(12-6-9-15-7-2-1-3-8-15)19-14-13-16-10-4-5-11-17(16)19/h1-5,7-8,10-11H,6,9,12-14H2
InChIKeyHBPHSVFNSYNMKH-UHFFFAOYSA-N
XLogP3.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-4-phenylbutan-1-one?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-4-phenylbutan-1-one (CID 807668) is 1-(2,3-dihydroindol-1-yl)-4-phenylbutan-1-one.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-4-phenylbutan-1-one?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-4-phenylbutan-1-one is O=C(CCCc1ccccc1)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-4-phenylbutan-1-one?
The InChIKey is HBPHSVFNSYNMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO/c20-18(12-6-9-15-7-2-1-3-8-15)19-14-13-16-10-4-5-11-17(16)19/h1-5,7-8,10-11H,6,9,12-14H2.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-4-phenylbutan-1-one?
1-(2,3-dihydroindol-1-yl)-4-phenylbutan-1-one has a molecular weight of 265.36 g/mol, XLogP of 3.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-4-phenylbutan-1-one is sourced from PubChem (CID 807668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).