3-(cyclopentylmethyl)-2,3-dihydroisoindol-1-one

C14H17NO — CID 171099763

IUPAC3-(cyclopentylmethyl)-2,3-dihydroisoindol-1-one
SMILESO=C1NC(CC2CCCC2)c2ccccc21
InChIInChI=1S/C14H17NO/c16-14-12-8-4-3-7-11(12)13(15-14)9-10-5-1-2-6-10/h3-4,7-8,10,13H,1-2,5-6,9H2,(H,15,16)
InChIKeyRBYIYBGYXSRRDC-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.05
Rot. Bonds2

About 3-(cyclopentylmethyl)-2,3-dihydroisoindol-1-one

3-(cyclopentylmethyl)-2,3-dihydroisoindol-1-one (PubChem CID 171099763) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-(cyclopentylmethyl)-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name3-(cyclopentylmethyl)-2,3-dihydroisoindol-1-one
PubChem CID171099763
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name3-(cyclopentylmethyl)-2,3-dihydroisoindol-1-one
SMILESO=C1NC(CC2CCCC2)c2ccccc21
InChIInChI=1S/C14H17NO/c16-14-12-8-4-3-7-11(12)13(15-14)9-10-5-1-2-6-10/h3-4,7-8,10,13H,1-2,5-6,9H2,(H,15,16)
InChIKeyRBYIYBGYXSRRDC-UHFFFAOYSA-N
XLogP3.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylmethyl)-2,3-dihydroisoindol-1-one?
The IUPAC name of 3-(cyclopentylmethyl)-2,3-dihydroisoindol-1-one (CID 171099763) is 3-(cyclopentylmethyl)-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 3-(cyclopentylmethyl)-2,3-dihydroisoindol-1-one?
The canonical SMILES for 3-(cyclopentylmethyl)-2,3-dihydroisoindol-1-one is O=C1NC(CC2CCCC2)c2ccccc21.
What is the InChIKey of 3-(cyclopentylmethyl)-2,3-dihydroisoindol-1-one?
The InChIKey is RBYIYBGYXSRRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c16-14-12-8-4-3-7-11(12)13(15-14)9-10-5-1-2-6-10/h3-4,7-8,10,13H,1-2,5-6,9H2,(H,15,16).
What are the key properties of 3-(cyclopentylmethyl)-2,3-dihydroisoindol-1-one?
3-(cyclopentylmethyl)-2,3-dihydroisoindol-1-one has a molecular weight of 215.30 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethyl)-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 171099763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).