4-(furan-3-yl)-2,3-dihydroisoindol-1-one

C12H9NO2 — CID 175996463

IUPAC4-(furan-3-yl)-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2c1cccc2-c1ccoc1
InChIInChI=1S/C12H9NO2/c14-12-10-3-1-2-9(11(10)6-13-12)8-4-5-15-7-8/h1-5,7H,6H2,(H,13,14)
InChIKeyNEBKLECYBBUPHJ-UHFFFAOYSA-N
MW199.21 g/mol
LogP2.19
Rot. Bonds1

About 4-(furan-3-yl)-2,3-dihydroisoindol-1-one

4-(furan-3-yl)-2,3-dihydroisoindol-1-one (PubChem CID 175996463) has the molecular formula C12H9NO2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 4-(furan-3-yl)-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name4-(furan-3-yl)-2,3-dihydroisoindol-1-one
PubChem CID175996463
Molecular FormulaC12H9NO2
Molecular Weight199.21 g/mol
Exact Mass199.06
IUPAC Name4-(furan-3-yl)-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2c1cccc2-c1ccoc1
InChIInChI=1S/C12H9NO2/c14-12-10-3-1-2-9(11(10)6-13-12)8-4-5-15-7-8/h1-5,7H,6H2,(H,13,14)
InChIKeyNEBKLECYBBUPHJ-UHFFFAOYSA-N
XLogP2.19
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-chlorophenyl)-2,3-dihydroisoindol-1-one
CID 172769018
4-thiophen-3-yl-2,3-dihydroisoindol-1-one
CID 175996469
3-(furan-3-yl)-1H-pyridin-2-one
CID 10374724
4-(2-methylphenyl)-2,3-dihydroisoindol-1-one
CID 172876033
4-(5-methyl-3-pyridinyl)-2,3-dihydroisoindol-1-one
CID 175996410
4-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydroisoindol-1-one
CID 175996415
1-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]-3-phenylurea
CID 5329877
4-(2-fluoro-3-pyridinyl)-2,3-dihydroisoindol-1-one
CID 175996445
3,12,23,32-tetrazanonacyclo[32.6.6.614,21.05,10.015,20.025,30.035,40.041,46.047,52]dopentaconta-1(40),5,7,9,14(52),15,17,19,21(47),25,27,29,34,36,38,41,43,45,48,50-icosaene-4,11,24,31-tetrone
CID 102364029
1-(4-chlorophenyl)-3-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea
CID 11372347
4-(1-aminoethyl)-2,3-dihydroisoindol-1-one
CID 84717756
1-(3-methylphenyl)-3-[3-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea
CID 11360304

Frequently Asked Questions

What is the IUPAC name of 4-(furan-3-yl)-2,3-dihydroisoindol-1-one?
The IUPAC name of 4-(furan-3-yl)-2,3-dihydroisoindol-1-one (CID 175996463) is 4-(furan-3-yl)-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 4-(furan-3-yl)-2,3-dihydroisoindol-1-one?
The canonical SMILES for 4-(furan-3-yl)-2,3-dihydroisoindol-1-one is O=C1NCc2c1cccc2-c1ccoc1.
What is the InChIKey of 4-(furan-3-yl)-2,3-dihydroisoindol-1-one?
The InChIKey is NEBKLECYBBUPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO2/c14-12-10-3-1-2-9(11(10)6-13-12)8-4-5-15-7-8/h1-5,7H,6H2,(H,13,14).
What are the key properties of 4-(furan-3-yl)-2,3-dihydroisoindol-1-one?
4-(furan-3-yl)-2,3-dihydroisoindol-1-one has a molecular weight of 199.21 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-3-yl)-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 175996463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).