2-(cyclopropylmethyl)-6-ethenyl-3H-isoindol-1-one

C14H15NO — CID 172876193

IUPAC2-(cyclopropylmethyl)-6-ethenyl-3H-isoindol-1-one
SMILESC=Cc1ccc2c(c1)C(=O)N(CC1CC1)C2
InChIInChI=1S/C14H15NO/c1-2-10-5-6-12-9-15(8-11-3-4-11)14(16)13(12)7-10/h2,5-7,11H,1,3-4,8-9H2
InChIKeyCXUKYMNEKPCDLR-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.70
Rot. Bonds3

About 2-(cyclopropylmethyl)-6-ethenyl-3H-isoindol-1-one

2-(cyclopropylmethyl)-6-ethenyl-3H-isoindol-1-one (PubChem CID 172876193) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-6-ethenyl-3H-isoindol-1-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-6-ethenyl-3H-isoindol-1-one
PubChem CID172876193
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name2-(cyclopropylmethyl)-6-ethenyl-3H-isoindol-1-one
SMILESC=Cc1ccc2c(c1)C(=O)N(CC1CC1)C2
InChIInChI=1S/C14H15NO/c1-2-10-5-6-12-9-15(8-11-3-4-11)14(16)13(12)7-10/h2,5-7,11H,1,3-4,8-9H2
InChIKeyCXUKYMNEKPCDLR-UHFFFAOYSA-N
XLogP2.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(5-ethenyl-3-oxo-1H-isoindol-2-yl)methyl 2,2-dimethylpropanoate
CID 91033939
6-hydroxy-2-[(4-propan-2-ylcyclohexyl)methyl]-3H-isoindol-1-one
CID 129014130
2-(cyclopropylmethyl)-5-methyl-3H-isoindol-1-one;ethene
CID 144549653
2-[[4-[cyclohexyl(hydroxy)methyl]cyclohexyl]methyl]-6-hydroxy-3H-isoindol-1-one
CID 118186525
5-bromo-2-(cyclopropylmethyl)-3H-isoindol-1-one
CID 23158277
4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]cyclohexane-1-carboxylic acid
CID 118161020
6-ethenyl-2-(oxolan-3-yl)-3H-isoindol-1-one
CID 172876198
2-[[4-[(3-fluoro-5-hydroxyphenoxy)methyl]cyclohexyl]methyl]-6-hydroxy-3H-isoindol-1-one
CID 118186551
6-ethenyl-2-(2-hydroxyethyl)-1,4-dihydroisoquinolin-3-one
CID 70224914
6-hydroxy-2-[[4-[1-[[(3R)-2-methylpentan-3-yl]amino]ethyl]cyclohexyl]methyl]-3H-isoindol-1-one
CID 118186668
2-cyclopropyl-3-oxo-1H-isoindole-5-carbaldehyde
CID 83819356
1-(cyclopropylmethyl)-2,3-dihydroindole-6-carbaldehyde
CID 115105849

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-6-ethenyl-3H-isoindol-1-one?
The IUPAC name of 2-(cyclopropylmethyl)-6-ethenyl-3H-isoindol-1-one (CID 172876193) is 2-(cyclopropylmethyl)-6-ethenyl-3H-isoindol-1-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-6-ethenyl-3H-isoindol-1-one?
The canonical SMILES for 2-(cyclopropylmethyl)-6-ethenyl-3H-isoindol-1-one is C=Cc1ccc2c(c1)C(=O)N(CC1CC1)C2.
What is the InChIKey of 2-(cyclopropylmethyl)-6-ethenyl-3H-isoindol-1-one?
The InChIKey is CXUKYMNEKPCDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-2-10-5-6-12-9-15(8-11-3-4-11)14(16)13(12)7-10/h2,5-7,11H,1,3-4,8-9H2.
What are the key properties of 2-(cyclopropylmethyl)-6-ethenyl-3H-isoindol-1-one?
2-(cyclopropylmethyl)-6-ethenyl-3H-isoindol-1-one has a molecular weight of 213.28 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-6-ethenyl-3H-isoindol-1-one is sourced from PubChem (CID 172876193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).