1-(2,3-dihydro-1H-isoindol-5-yl)propan-1-one

C11H13NO — CID 116612892

IUPAC1-(2,3-dihydro-1H-isoindol-5-yl)propan-1-one
SMILESCCC(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C11H13NO/c1-2-11(13)8-3-4-9-6-12-7-10(9)5-8/h3-5,12H,2,6-7H2,1H3
InChIKeyHIVMTTLLIWIQRJ-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.88
Rot. Bonds2

About 1-(2,3-dihydro-1H-isoindol-5-yl)propan-1-one

1-(2,3-dihydro-1H-isoindol-5-yl)propan-1-one (PubChem CID 116612892) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-isoindol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-isoindol-5-yl)propan-1-one
PubChem CID116612892
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name1-(2,3-dihydro-1H-isoindol-5-yl)propan-1-one
SMILESCCC(=O)c1ccc2c(c1)CNC2
InChIInChI=1S/C11H13NO/c1-2-11(13)8-3-4-9-6-12-7-10(9)5-8/h3-5,12H,2,6-7H2,1H3
InChIKeyHIVMTTLLIWIQRJ-UHFFFAOYSA-N
XLogP1.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-isoindol-5-yl)propan-1-one?
The IUPAC name of 1-(2,3-dihydro-1H-isoindol-5-yl)propan-1-one (CID 116612892) is 1-(2,3-dihydro-1H-isoindol-5-yl)propan-1-one.
What is the SMILES notation for 1-(2,3-dihydro-1H-isoindol-5-yl)propan-1-one?
The canonical SMILES for 1-(2,3-dihydro-1H-isoindol-5-yl)propan-1-one is CCC(=O)c1ccc2c(c1)CNC2.
What is the InChIKey of 1-(2,3-dihydro-1H-isoindol-5-yl)propan-1-one?
The InChIKey is HIVMTTLLIWIQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-2-11(13)8-3-4-9-6-12-7-10(9)5-8/h3-5,12H,2,6-7H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-isoindol-5-yl)propan-1-one?
1-(2,3-dihydro-1H-isoindol-5-yl)propan-1-one has a molecular weight of 175.23 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-isoindol-5-yl)propan-1-one is sourced from PubChem (CID 116612892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).