3-[1-(2,3-dihydro-1H-inden-1-yl)tetrazol-5-yl]-1-phenylpropan-1-one

C19H18N4O — CID 46890312

IUPAC3-[1-(2,3-dihydro-1H-inden-1-yl)tetrazol-5-yl]-1-phenylpropan-1-one
SMILESO=C(CCc1nnnn1C1CCc2ccccc21)c1ccccc1
InChIInChI=1S/C19H18N4O/c24-18(15-7-2-1-3-8-15)12-13-19-20-21-22-23(19)17-11-10-14-6-4-5-9-16(14)17/h1-9,17H,10-13H2
InChIKeyDQWUEXLVOWOHIU-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.02
Rot. Bonds5

About 3-[1-(2,3-dihydro-1H-inden-1-yl)tetrazol-5-yl]-1-phenylpropan-1-one

3-[1-(2,3-dihydro-1H-inden-1-yl)tetrazol-5-yl]-1-phenylpropan-1-one (PubChem CID 46890312) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 3-[1-(2,3-dihydro-1H-inden-1-yl)tetrazol-5-yl]-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-[1-(2,3-dihydro-1H-inden-1-yl)tetrazol-5-yl]-1-phenylpropan-1-one
PubChem CID46890312
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name3-[1-(2,3-dihydro-1H-inden-1-yl)tetrazol-5-yl]-1-phenylpropan-1-one
SMILESO=C(CCc1nnnn1C1CCc2ccccc21)c1ccccc1
InChIInChI=1S/C19H18N4O/c24-18(15-7-2-1-3-8-15)12-13-19-20-21-22-23(19)17-11-10-14-6-4-5-9-16(14)17/h1-9,17H,10-13H2
InChIKeyDQWUEXLVOWOHIU-UHFFFAOYSA-N
XLogP3.02
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3-dihydro-1H-inden-1-yl)tetrazol-5-yl]-1-phenylpropan-1-one?
The IUPAC name of 3-[1-(2,3-dihydro-1H-inden-1-yl)tetrazol-5-yl]-1-phenylpropan-1-one (CID 46890312) is 3-[1-(2,3-dihydro-1H-inden-1-yl)tetrazol-5-yl]-1-phenylpropan-1-one.
What is the SMILES notation for 3-[1-(2,3-dihydro-1H-inden-1-yl)tetrazol-5-yl]-1-phenylpropan-1-one?
The canonical SMILES for 3-[1-(2,3-dihydro-1H-inden-1-yl)tetrazol-5-yl]-1-phenylpropan-1-one is O=C(CCc1nnnn1C1CCc2ccccc21)c1ccccc1.
What is the InChIKey of 3-[1-(2,3-dihydro-1H-inden-1-yl)tetrazol-5-yl]-1-phenylpropan-1-one?
The InChIKey is DQWUEXLVOWOHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c24-18(15-7-2-1-3-8-15)12-13-19-20-21-22-23(19)17-11-10-14-6-4-5-9-16(14)17/h1-9,17H,10-13H2.
What are the key properties of 3-[1-(2,3-dihydro-1H-inden-1-yl)tetrazol-5-yl]-1-phenylpropan-1-one?
3-[1-(2,3-dihydro-1H-inden-1-yl)tetrazol-5-yl]-1-phenylpropan-1-one has a molecular weight of 318.38 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,3-dihydro-1H-inden-1-yl)tetrazol-5-yl]-1-phenylpropan-1-one is sourced from PubChem (CID 46890312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).