2,3-dihydro-1H-isoindole-5-carboxylic acid;furan

C13H13NO3 — CID 146222356

IUPAC2,3-dihydro-1H-isoindole-5-carboxylic acid;furan
SMILESO=C(O)c1ccc2c(c1)CNC2.c1ccoc1
InChIInChI=1S/C9H9NO2.C4H4O/c11-9(12)6-1-2-7-4-10-5-8(7)3-6;1-2-4-5-3-1/h1-3,10H,4-5H2,(H,11,12);1-4H
InChIKeyJEUARJXVVLOCKQ-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.27
Rot. Bonds1

About 2,3-dihydro-1H-isoindole-5-carboxylic acid;furan

2,3-dihydro-1H-isoindole-5-carboxylic acid;furan (PubChem CID 146222356) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2,3-dihydro-1H-isoindole-5-carboxylic acid;furan.

Molecular Properties

Compound Name2,3-dihydro-1H-isoindole-5-carboxylic acid;furan
PubChem CID146222356
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name2,3-dihydro-1H-isoindole-5-carboxylic acid;furan
SMILESO=C(O)c1ccc2c(c1)CNC2.c1ccoc1
InChIInChI=1S/C9H9NO2.C4H4O/c11-9(12)6-1-2-7-4-10-5-8(7)3-6;1-2-4-5-3-1/h1-3,10H,4-5H2,(H,11,12);1-4H
InChIKeyJEUARJXVVLOCKQ-UHFFFAOYSA-N
XLogP2.27
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dihydro-1H-isoindole-5-carbonylamino)benzoic acid
CID 115866991
1-(2,3-dihydro-1H-isoindole-5-carbonyl)piperidine-4-carboxylic acid
CID 115867074
1-(2,3-dihydro-1H-isoindol-5-yl)propan-1-one
CID 116612892
(4-tert-butylpiperidin-1-yl)-(2,3-dihydro-1H-isoindol-5-yl)methanone
CID 103998831
3-oxo-2,4-dihydro-1H-isoquinoline-6-carboxylic acid
CID 135742200
2,3-dihydro-1H-isoindol-5-yl(thiophen-2-yl)methanone
CID 116613111
4-(2,3-dihydro-1H-isoindole-5-carbonyl)piperazine-2,6-dione
CID 103999097
2,3-dihydro-1H-isoindol-5-yl-(2-methylphenyl)methanone
CID 116613082
2-[2,3-dihydro-1H-isoindole-5-carbonyl(methyl)amino]acetic acid
CID 112547658
cyclobutyl(2,3-dihydro-1H-isoindol-5-yl)methanone
CID 116613110
cyclopentyl(2,3-dihydro-1H-isoindol-5-yl)methanone
CID 116612878
(2S)-2-(2,3-dihydro-1H-isoindole-5-carbonylamino)-3,3-dimethylbutanoic acid
CID 103870959

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-isoindole-5-carboxylic acid;furan?
The IUPAC name of 2,3-dihydro-1H-isoindole-5-carboxylic acid;furan (CID 146222356) is 2,3-dihydro-1H-isoindole-5-carboxylic acid;furan.
What is the SMILES notation for 2,3-dihydro-1H-isoindole-5-carboxylic acid;furan?
The canonical SMILES for 2,3-dihydro-1H-isoindole-5-carboxylic acid;furan is O=C(O)c1ccc2c(c1)CNC2.c1ccoc1.
What is the InChIKey of 2,3-dihydro-1H-isoindole-5-carboxylic acid;furan?
The InChIKey is JEUARJXVVLOCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2.C4H4O/c11-9(12)6-1-2-7-4-10-5-8(7)3-6;1-2-4-5-3-1/h1-3,10H,4-5H2,(H,11,12);1-4H.
What are the key properties of 2,3-dihydro-1H-isoindole-5-carboxylic acid;furan?
2,3-dihydro-1H-isoindole-5-carboxylic acid;furan has a molecular weight of 231.25 g/mol, XLogP of 2.27, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-isoindole-5-carboxylic acid;furan is sourced from PubChem (CID 146222356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).