ethane;[(E)-3-(1H-indol-2-yl)prop-2-enyl] acetate

C15H19NO2 — CID 143581966

IUPACethane;[(E)-3-(1H-indol-2-yl)prop-2-enyl] acetate
SMILESCC.CC(=O)OC/C=C/c1cc2ccccc2[nH]1
InChIInChI=1S/C13H13NO2.C2H6/c1-10(15)16-8-4-6-12-9-11-5-2-3-7-13(11)14-12;1-2/h2-7,9,14H,8H2,1H3;1-2H3/b6-4+;
InChIKeyYHBOIVKIDBZOBF-CVDVRWGVSA-N
MW245.32 g/mol
LogP3.77
Rot. Bonds3

About ethane;[(E)-3-(1H-indol-2-yl)prop-2-enyl] acetate

ethane;[(E)-3-(1H-indol-2-yl)prop-2-enyl] acetate (PubChem CID 143581966) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is ethane;[(E)-3-(1H-indol-2-yl)prop-2-enyl] acetate.

Molecular Properties

Compound Nameethane;[(E)-3-(1H-indol-2-yl)prop-2-enyl] acetate
PubChem CID143581966
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Nameethane;[(E)-3-(1H-indol-2-yl)prop-2-enyl] acetate
SMILESCC.CC(=O)OC/C=C/c1cc2ccccc2[nH]1
InChIInChI=1S/C13H13NO2.C2H6/c1-10(15)16-8-4-6-12-9-11-5-2-3-7-13(11)14-12;1-2/h2-7,9,14H,8H2,1H3;1-2H3/b6-4+;
InChIKeyYHBOIVKIDBZOBF-CVDVRWGVSA-N
XLogP3.77
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;ethyl (E)-3-(1H-indol-2-yl)prop-2-enoate
CID 145445804
2-(4-methoxypenta-1,4-dienyl)-1H-indole
CID 142763611
2-[(E)-dec-1-enyl]-1H-indole
CID 118043504
methane;3-phenylprop-2-enyl acetate
CID 161251880
methane;[(E)-3-phenylprop-2-enyl] acetate
CID 161124319
ethane;ethyl 1H-indole-2-carboxylate
CID 91376411
(2Z,4E)-5-(1H-indol-2-yl)-2-methoxypenta-2,4-dienoic acid
CID 19610387
(E)-3-(1H-indol-2-yl)-2-methylprop-2-enal
CID 142626231
ethane;2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-indole
CID 143581960
[(Z)-1-[(2Z)-2-ethylidenehydrazinyl]-2-(1H-indol-2-yl)ethenyl] acetate
CID 134921355
ethane;2-[(E)-2-(1H-pyrazol-5-yl)ethenyl]-1H-indole
CID 143924426
methyl (Z)-2-chloro-3-(1H-indol-2-yl)prop-2-enoate
CID 23544871

Frequently Asked Questions

What is the IUPAC name of ethane;[(E)-3-(1H-indol-2-yl)prop-2-enyl] acetate?
The IUPAC name of ethane;[(E)-3-(1H-indol-2-yl)prop-2-enyl] acetate (CID 143581966) is ethane;[(E)-3-(1H-indol-2-yl)prop-2-enyl] acetate.
What is the SMILES notation for ethane;[(E)-3-(1H-indol-2-yl)prop-2-enyl] acetate?
The canonical SMILES for ethane;[(E)-3-(1H-indol-2-yl)prop-2-enyl] acetate is CC.CC(=O)OC/C=C/c1cc2ccccc2[nH]1.
What is the InChIKey of ethane;[(E)-3-(1H-indol-2-yl)prop-2-enyl] acetate?
The InChIKey is YHBOIVKIDBZOBF-CVDVRWGVSA-N. The full InChI is InChI=1S/C13H13NO2.C2H6/c1-10(15)16-8-4-6-12-9-11-5-2-3-7-13(11)14-12;1-2/h2-7,9,14H,8H2,1H3;1-2H3/b6-4+;.
What are the key properties of ethane;[(E)-3-(1H-indol-2-yl)prop-2-enyl] acetate?
ethane;[(E)-3-(1H-indol-2-yl)prop-2-enyl] acetate has a molecular weight of 245.32 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[(E)-3-(1H-indol-2-yl)prop-2-enyl] acetate is sourced from PubChem (CID 143581966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).