1,3-dihydroisoindol-2-yl(pyridin-2-yl)methanone

C14H12N2O — CID 110471200

IUPAC1,3-dihydroisoindol-2-yl(pyridin-2-yl)methanone
SMILESO=C(c1ccccn1)N1Cc2ccccc2C1
InChIInChI=1S/C14H12N2O/c17-14(13-7-3-4-8-15-13)16-9-11-5-1-2-6-12(11)10-16/h1-8H,9-10H2
InChIKeyYFTUPNGGOPKVAB-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.24
Rot. Bonds1

About 1,3-dihydroisoindol-2-yl(pyridin-2-yl)methanone

1,3-dihydroisoindol-2-yl(pyridin-2-yl)methanone (PubChem CID 110471200) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 1,3-dihydroisoindol-2-yl(pyridin-2-yl)methanone.

Molecular Properties

Compound Name1,3-dihydroisoindol-2-yl(pyridin-2-yl)methanone
PubChem CID110471200
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name1,3-dihydroisoindol-2-yl(pyridin-2-yl)methanone
SMILESO=C(c1ccccn1)N1Cc2ccccc2C1
InChIInChI=1S/C14H12N2O/c17-14(13-7-3-4-8-15-13)16-9-11-5-1-2-6-12(11)10-16/h1-8H,9-10H2
InChIKeyYFTUPNGGOPKVAB-UHFFFAOYSA-N
XLogP2.24
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dihydroisoindol-2-yl(pyridin-2-yl)methanone?
The IUPAC name of 1,3-dihydroisoindol-2-yl(pyridin-2-yl)methanone (CID 110471200) is 1,3-dihydroisoindol-2-yl(pyridin-2-yl)methanone.
What is the SMILES notation for 1,3-dihydroisoindol-2-yl(pyridin-2-yl)methanone?
The canonical SMILES for 1,3-dihydroisoindol-2-yl(pyridin-2-yl)methanone is O=C(c1ccccn1)N1Cc2ccccc2C1.
What is the InChIKey of 1,3-dihydroisoindol-2-yl(pyridin-2-yl)methanone?
The InChIKey is YFTUPNGGOPKVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c17-14(13-7-3-4-8-15-13)16-9-11-5-1-2-6-12(11)10-16/h1-8H,9-10H2.
What are the key properties of 1,3-dihydroisoindol-2-yl(pyridin-2-yl)methanone?
1,3-dihydroisoindol-2-yl(pyridin-2-yl)methanone has a molecular weight of 224.26 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydroisoindol-2-yl(pyridin-2-yl)methanone is sourced from PubChem (CID 110471200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).