2-(1,3-dihydroisoindol-2-yl)-1-(furan-2-yl)ethanone

C14H13NO2 — CID 62206434

IUPAC2-(1,3-dihydroisoindol-2-yl)-1-(furan-2-yl)ethanone
SMILESO=C(CN1Cc2ccccc2C1)c1ccco1
InChIInChI=1S/C14H13NO2/c16-13(14-6-3-7-17-14)10-15-8-11-4-1-2-5-12(11)9-15/h1-7H,8-10H2
InChIKeyOWZJOJCFRXCWEL-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.48
Rot. Bonds3

About 2-(1,3-dihydroisoindol-2-yl)-1-(furan-2-yl)ethanone

2-(1,3-dihydroisoindol-2-yl)-1-(furan-2-yl)ethanone (PubChem CID 62206434) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-(1,3-dihydroisoindol-2-yl)-1-(furan-2-yl)ethanone.

Molecular Properties

Compound Name2-(1,3-dihydroisoindol-2-yl)-1-(furan-2-yl)ethanone
PubChem CID62206434
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name2-(1,3-dihydroisoindol-2-yl)-1-(furan-2-yl)ethanone
SMILESO=C(CN1Cc2ccccc2C1)c1ccco1
InChIInChI=1S/C14H13NO2/c16-13(14-6-3-7-17-14)10-15-8-11-4-1-2-5-12(11)9-15/h1-7H,8-10H2
InChIKeyOWZJOJCFRXCWEL-UHFFFAOYSA-N
XLogP2.48
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 62025348
1-(furan-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
CID 55140385
2-(4-aminopiperidin-1-yl)-1-(furan-2-yl)ethanone
CID 62031487
2-[[1-[2-(furan-2-yl)-2-oxoethyl]piperidin-4-yl]methyl]-3H-isoindol-1-one;hydrochloride
CID 21078000
1-(furan-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 43228329
2-[4-(aminomethyl)piperidin-1-yl]-1-(furan-2-yl)ethanone;hydrochloride
CID 71644820
1-(1-benzofuran-2-yl)-2-(1,3-dihydroisoindol-2-yl)ethanone
CID 62206433
1-(furan-2-yl)-2-(3-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 102960348
1-(furan-2-yl)-2-(4-propylpiperidin-1-yl)ethanone
CID 55050319
1-[2-(furan-2-yl)-2-oxoethyl]-1,4-diazepan-5-one
CID 63002909
2-[1-[2-(furan-2-yl)-2-oxoethyl]piperidin-4-yl]acetamide
CID 54989522
2-[2-(furan-2-yl)-2-oxoethyl]-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 82863884

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-1-(furan-2-yl)ethanone?
The IUPAC name of 2-(1,3-dihydroisoindol-2-yl)-1-(furan-2-yl)ethanone (CID 62206434) is 2-(1,3-dihydroisoindol-2-yl)-1-(furan-2-yl)ethanone.
What is the SMILES notation for 2-(1,3-dihydroisoindol-2-yl)-1-(furan-2-yl)ethanone?
The canonical SMILES for 2-(1,3-dihydroisoindol-2-yl)-1-(furan-2-yl)ethanone is O=C(CN1Cc2ccccc2C1)c1ccco1.
What is the InChIKey of 2-(1,3-dihydroisoindol-2-yl)-1-(furan-2-yl)ethanone?
The InChIKey is OWZJOJCFRXCWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c16-13(14-6-3-7-17-14)10-15-8-11-4-1-2-5-12(11)9-15/h1-7H,8-10H2.
What are the key properties of 2-(1,3-dihydroisoindol-2-yl)-1-(furan-2-yl)ethanone?
2-(1,3-dihydroisoindol-2-yl)-1-(furan-2-yl)ethanone has a molecular weight of 227.26 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydroisoindol-2-yl)-1-(furan-2-yl)ethanone is sourced from PubChem (CID 62206434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).