2-[(E)-3-hydroxyprop-1-enyl]-3H-isoindol-1-one

C11H11NO2 — CID 153337388

IUPAC2-[(E)-3-hydroxyprop-1-enyl]-3H-isoindol-1-one
SMILESO=C1c2ccccc2CN1/C=C/CO
InChIInChI=1S/C11H11NO2/c13-7-3-6-12-8-9-4-1-2-5-10(9)11(12)14/h1-6,13H,7-8H2/b6-3+
InChIKeyXNVMRRDZALACSJ-ZZXKWVIFSA-N
MW189.21 g/mol
LogP1.15
Rot. Bonds2

About 2-[(E)-3-hydroxyprop-1-enyl]-3H-isoindol-1-one

2-[(E)-3-hydroxyprop-1-enyl]-3H-isoindol-1-one (PubChem CID 153337388) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-[(E)-3-hydroxyprop-1-enyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[(E)-3-hydroxyprop-1-enyl]-3H-isoindol-1-one
PubChem CID153337388
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name2-[(E)-3-hydroxyprop-1-enyl]-3H-isoindol-1-one
SMILESO=C1c2ccccc2CN1/C=C/CO
InChIInChI=1S/C11H11NO2/c13-7-3-6-12-8-9-4-1-2-5-10(9)11(12)14/h1-6,13H,7-8H2/b6-3+
InChIKeyXNVMRRDZALACSJ-ZZXKWVIFSA-N
XLogP1.15
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-hydroxyprop-1-enyl]-3H-isoindol-1-one?
The IUPAC name of 2-[(E)-3-hydroxyprop-1-enyl]-3H-isoindol-1-one (CID 153337388) is 2-[(E)-3-hydroxyprop-1-enyl]-3H-isoindol-1-one.
What is the SMILES notation for 2-[(E)-3-hydroxyprop-1-enyl]-3H-isoindol-1-one?
The canonical SMILES for 2-[(E)-3-hydroxyprop-1-enyl]-3H-isoindol-1-one is O=C1c2ccccc2CN1/C=C/CO.
What is the InChIKey of 2-[(E)-3-hydroxyprop-1-enyl]-3H-isoindol-1-one?
The InChIKey is XNVMRRDZALACSJ-ZZXKWVIFSA-N. The full InChI is InChI=1S/C11H11NO2/c13-7-3-6-12-8-9-4-1-2-5-10(9)11(12)14/h1-6,13H,7-8H2/b6-3+.
What are the key properties of 2-[(E)-3-hydroxyprop-1-enyl]-3H-isoindol-1-one?
2-[(E)-3-hydroxyprop-1-enyl]-3H-isoindol-1-one has a molecular weight of 189.21 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-hydroxyprop-1-enyl]-3H-isoindol-1-one is sourced from PubChem (CID 153337388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).