2-(cyclopropylmethyl)-5-methyl-3H-isoindol-1-one;ethene

C15H19NO — CID 144549653

IUPAC2-(cyclopropylmethyl)-5-methyl-3H-isoindol-1-one;ethene
SMILESC=C.Cc1ccc2c(c1)CN(CC1CC1)C2=O
InChIInChI=1S/C13H15NO.C2H4/c1-9-2-5-12-11(6-9)8-14(13(12)15)7-10-3-4-10;1-2/h2,5-6,10H,3-4,7-8H2,1H3;1-2H2
InChIKeyWLGGQCFGMUQCJS-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.16
Rot. Bonds2

About 2-(cyclopropylmethyl)-5-methyl-3H-isoindol-1-one;ethene

2-(cyclopropylmethyl)-5-methyl-3H-isoindol-1-one;ethene (PubChem CID 144549653) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-5-methyl-3H-isoindol-1-one;ethene.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-5-methyl-3H-isoindol-1-one;ethene
PubChem CID144549653
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name2-(cyclopropylmethyl)-5-methyl-3H-isoindol-1-one;ethene
SMILESC=C.Cc1ccc2c(c1)CN(CC1CC1)C2=O
InChIInChI=1S/C13H15NO.C2H4/c1-9-2-5-12-11(6-9)8-14(13(12)15)7-10-3-4-10;1-2/h2,5-6,10H,3-4,7-8H2,1H3;1-2H2
InChIKeyWLGGQCFGMUQCJS-UHFFFAOYSA-N
XLogP3.16
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-5-methyl-3H-isoindol-1-one;ethene?
The IUPAC name of 2-(cyclopropylmethyl)-5-methyl-3H-isoindol-1-one;ethene (CID 144549653) is 2-(cyclopropylmethyl)-5-methyl-3H-isoindol-1-one;ethene.
What is the SMILES notation for 2-(cyclopropylmethyl)-5-methyl-3H-isoindol-1-one;ethene?
The canonical SMILES for 2-(cyclopropylmethyl)-5-methyl-3H-isoindol-1-one;ethene is C=C.Cc1ccc2c(c1)CN(CC1CC1)C2=O.
What is the InChIKey of 2-(cyclopropylmethyl)-5-methyl-3H-isoindol-1-one;ethene?
The InChIKey is WLGGQCFGMUQCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO.C2H4/c1-9-2-5-12-11(6-9)8-14(13(12)15)7-10-3-4-10;1-2/h2,5-6,10H,3-4,7-8H2,1H3;1-2H2.
What are the key properties of 2-(cyclopropylmethyl)-5-methyl-3H-isoindol-1-one;ethene?
2-(cyclopropylmethyl)-5-methyl-3H-isoindol-1-one;ethene has a molecular weight of 229.32 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-5-methyl-3H-isoindol-1-one;ethene is sourced from PubChem (CID 144549653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).