2-(3-ethenyl-2-methylindol-1-yl)ethyl 2-methylprop-2-enoate

C17H19NO2 — CID 163696593

IUPAC2-(3-ethenyl-2-methylindol-1-yl)ethyl 2-methylprop-2-enoate
SMILESC=Cc1c(C)n(CCOC(=O)C(=C)C)c2ccccc12
InChIInChI=1S/C17H19NO2/c1-5-14-13(4)18(10-11-20-17(19)12(2)3)16-9-7-6-8-15(14)16/h5-9H,1-2,10-11H2,3-4H3
InChIKeyJXMKQWGEPSGHRN-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.71
Rot. Bonds5

About 2-(3-ethenyl-2-methylindol-1-yl)ethyl 2-methylprop-2-enoate

2-(3-ethenyl-2-methylindol-1-yl)ethyl 2-methylprop-2-enoate (PubChem CID 163696593) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-(3-ethenyl-2-methylindol-1-yl)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name2-(3-ethenyl-2-methylindol-1-yl)ethyl 2-methylprop-2-enoate
PubChem CID163696593
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name2-(3-ethenyl-2-methylindol-1-yl)ethyl 2-methylprop-2-enoate
SMILESC=Cc1c(C)n(CCOC(=O)C(=C)C)c2ccccc12
InChIInChI=1S/C17H19NO2/c1-5-14-13(4)18(10-11-20-17(19)12(2)3)16-9-7-6-8-15(14)16/h5-9H,1-2,10-11H2,3-4H3
InChIKeyJXMKQWGEPSGHRN-UHFFFAOYSA-N
XLogP3.71
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethane;2-(9-oxoacridin-10-yl)ethyl 2-methylprop-2-enoate;sulfane
CID 145481975
2-carbazol-9-ylethyl 2-(prop-2-enoxymethyl)prop-2-enoate
CID 178100321
1,2-bis(ethenyl)benzene;octyl 2-methylprop-2-enoate
CID 21392908
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;toluene
CID 163489883
2-[3-[1-[4-(diethylamino)-2-(2-methylprop-2-enoyloxy)phenyl]-3-oxo-2-benzofuran-1-yl]-2-methylindol-1-yl]ethyl 2-methylprop-2-enoate
CID 54343139
1-(3-methoxypropyl)-2-methylindole-3-carbaldehyde
CID 59177546
2-(5-methyl-2,4-dioxo-1H-pyrimidin-3-yl)ethyl 2-methylprop-2-enoate
CID 118938741
3-[3-[(4-nitrophenyl)diazenyl]carbazol-9-yl]propyl 2-methylprop-2-enoate
CID 102506876
1,2-bis(ethenyl)benzene;3-trimethoxysilylpropyl 2-methylprop-2-enoate
CID 175495096
6-(1-methyl-2-oxoquinolin-4-yl)sulfanylhexyl 2-methylprop-2-enoate
CID 164525442
2-[2-methyl-3-[1-[2-methyl-1-(2-prop-2-enoyloxyethyl)indol-3-yl]-3-oxo-2-benzofuran-1-yl]indol-1-yl]ethyl prop-2-enoate
CID 129170752
N-[(Z)-(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]acetamide
CID 126015839

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethenyl-2-methylindol-1-yl)ethyl 2-methylprop-2-enoate?
The IUPAC name of 2-(3-ethenyl-2-methylindol-1-yl)ethyl 2-methylprop-2-enoate (CID 163696593) is 2-(3-ethenyl-2-methylindol-1-yl)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for 2-(3-ethenyl-2-methylindol-1-yl)ethyl 2-methylprop-2-enoate?
The canonical SMILES for 2-(3-ethenyl-2-methylindol-1-yl)ethyl 2-methylprop-2-enoate is C=Cc1c(C)n(CCOC(=O)C(=C)C)c2ccccc12.
What is the InChIKey of 2-(3-ethenyl-2-methylindol-1-yl)ethyl 2-methylprop-2-enoate?
The InChIKey is JXMKQWGEPSGHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-5-14-13(4)18(10-11-20-17(19)12(2)3)16-9-7-6-8-15(14)16/h5-9H,1-2,10-11H2,3-4H3.
What are the key properties of 2-(3-ethenyl-2-methylindol-1-yl)ethyl 2-methylprop-2-enoate?
2-(3-ethenyl-2-methylindol-1-yl)ethyl 2-methylprop-2-enoate has a molecular weight of 269.34 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethenyl-2-methylindol-1-yl)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 163696593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).