5-prop-1-en-2-yl-2,3-dihydroisoindol-1-one

C11H11NO — CID 89390221

IUPAC5-prop-1-en-2-yl-2,3-dihydroisoindol-1-one
SMILESC=C(C)c1ccc2c(c1)CNC2=O
InChIInChI=1S/C11H11NO/c1-7(2)8-3-4-10-9(5-8)6-12-11(10)13/h3-5H,1,6H2,2H3,(H,12,13)
InChIKeyBTLSDSLENJNWNK-UHFFFAOYSA-N
MW173.21 g/mol
LogP1.96
Rot. Bonds1

About 5-prop-1-en-2-yl-2,3-dihydroisoindol-1-one

5-prop-1-en-2-yl-2,3-dihydroisoindol-1-one (PubChem CID 89390221) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is 5-prop-1-en-2-yl-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name5-prop-1-en-2-yl-2,3-dihydroisoindol-1-one
PubChem CID89390221
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name5-prop-1-en-2-yl-2,3-dihydroisoindol-1-one
SMILESC=C(C)c1ccc2c(c1)CNC2=O
InChIInChI=1S/C11H11NO/c1-7(2)8-3-4-10-9(5-8)6-12-11(10)13/h3-5H,1,6H2,2H3,(H,12,13)
InChIKeyBTLSDSLENJNWNK-UHFFFAOYSA-N
XLogP1.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 12246933

Frequently Asked Questions

What is the IUPAC name of 5-prop-1-en-2-yl-2,3-dihydroisoindol-1-one?
The IUPAC name of 5-prop-1-en-2-yl-2,3-dihydroisoindol-1-one (CID 89390221) is 5-prop-1-en-2-yl-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 5-prop-1-en-2-yl-2,3-dihydroisoindol-1-one?
The canonical SMILES for 5-prop-1-en-2-yl-2,3-dihydroisoindol-1-one is C=C(C)c1ccc2c(c1)CNC2=O.
What is the InChIKey of 5-prop-1-en-2-yl-2,3-dihydroisoindol-1-one?
The InChIKey is BTLSDSLENJNWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-7(2)8-3-4-10-9(5-8)6-12-11(10)13/h3-5H,1,6H2,2H3,(H,12,13).
What are the key properties of 5-prop-1-en-2-yl-2,3-dihydroisoindol-1-one?
5-prop-1-en-2-yl-2,3-dihydroisoindol-1-one has a molecular weight of 173.21 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-1-en-2-yl-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 89390221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).