7-(1H-pyrrol-2-yl)-2,3-dihydroisoindol-1-one

C12H10N2O — CID 16666857

IUPAC7-(1H-pyrrol-2-yl)-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2cccc(-c3ccc[nH]3)c21
InChIInChI=1S/C12H10N2O/c15-12-11-8(7-14-12)3-1-4-9(11)10-5-2-6-13-10/h1-6,13H,7H2,(H,14,15)
InChIKeyWKRPBUDNPJYGTO-UHFFFAOYSA-N
MW198.23 g/mol
LogP1.93
Rot. Bonds1

About 7-(1H-pyrrol-2-yl)-2,3-dihydroisoindol-1-one

7-(1H-pyrrol-2-yl)-2,3-dihydroisoindol-1-one (PubChem CID 16666857) has the molecular formula C12H10N2O and a molecular weight of 198.23 g/mol. Its IUPAC name is 7-(1H-pyrrol-2-yl)-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name7-(1H-pyrrol-2-yl)-2,3-dihydroisoindol-1-one
PubChem CID16666857
Molecular FormulaC12H10N2O
Molecular Weight198.23 g/mol
Exact Mass198.08
IUPAC Name7-(1H-pyrrol-2-yl)-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2cccc(-c3ccc[nH]3)c21
InChIInChI=1S/C12H10N2O/c15-12-11-8(7-14-12)3-1-4-9(11)10-5-2-6-13-10/h1-6,13H,7H2,(H,14,15)
InChIKeyWKRPBUDNPJYGTO-UHFFFAOYSA-N
XLogP1.93
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-(1H-pyrrol-2-yl)-2,3-dihydroisoindol-1-one?
The IUPAC name of 7-(1H-pyrrol-2-yl)-2,3-dihydroisoindol-1-one (CID 16666857) is 7-(1H-pyrrol-2-yl)-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 7-(1H-pyrrol-2-yl)-2,3-dihydroisoindol-1-one?
The canonical SMILES for 7-(1H-pyrrol-2-yl)-2,3-dihydroisoindol-1-one is O=C1NCc2cccc(-c3ccc[nH]3)c21.
What is the InChIKey of 7-(1H-pyrrol-2-yl)-2,3-dihydroisoindol-1-one?
The InChIKey is WKRPBUDNPJYGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O/c15-12-11-8(7-14-12)3-1-4-9(11)10-5-2-6-13-10/h1-6,13H,7H2,(H,14,15).
What are the key properties of 7-(1H-pyrrol-2-yl)-2,3-dihydroisoindol-1-one?
7-(1H-pyrrol-2-yl)-2,3-dihydroisoindol-1-one has a molecular weight of 198.23 g/mol, XLogP of 1.93, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1H-pyrrol-2-yl)-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 16666857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).