ethyl (E)-3-[1-(1-acetyloxy-2-methylpropan-2-yl)indol-3-yl]prop-2-enoate

C19H23NO4 — CID 11232746

IUPACethyl (E)-3-[1-(1-acetyloxy-2-methylpropan-2-yl)indol-3-yl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1cn(C(C)(C)COC(C)=O)c2ccccc12
InChIInChI=1S/C19H23NO4/c1-5-23-18(22)11-10-15-12-20(17-9-7-6-8-16(15)17)19(3,4)13-24-14(2)21/h6-12H,5,13H2,1-4H3/b11-10+
InChIKeyMEJPNPMVWVWCEI-ZHACJKMWSA-N
MW329.40 g/mol
LogP3.52
Rot. Bonds6

About ethyl (E)-3-[1-(1-acetyloxy-2-methylpropan-2-yl)indol-3-yl]prop-2-enoate

ethyl (E)-3-[1-(1-acetyloxy-2-methylpropan-2-yl)indol-3-yl]prop-2-enoate (PubChem CID 11232746) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is ethyl (E)-3-[1-(1-acetyloxy-2-methylpropan-2-yl)indol-3-yl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[1-(1-acetyloxy-2-methylpropan-2-yl)indol-3-yl]prop-2-enoate
PubChem CID11232746
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Nameethyl (E)-3-[1-(1-acetyloxy-2-methylpropan-2-yl)indol-3-yl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1cn(C(C)(C)COC(C)=O)c2ccccc12
InChIInChI=1S/C19H23NO4/c1-5-23-18(22)11-10-15-12-20(17-9-7-6-8-16(15)17)19(3,4)13-24-14(2)21/h6-12H,5,13H2,1-4H3/b11-10+
InChIKeyMEJPNPMVWVWCEI-ZHACJKMWSA-N
XLogP3.52
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl (E)-3-[1-(4-oxobutyl)indol-3-yl]prop-2-enoate
CID 135086101
ethyl (Z)-3-naphthalen-1-ylprop-2-enoate
CID 101030806
ethyl 3-(1-benzofuran-3-yl)prop-2-enoate
CID 169480442
ethyl acetate;ethyl (E)-3-phenylprop-2-enoate
CID 163289975
ethyl 3-(4-aminonaphthalen-1-yl)prop-2-enoate
CID 169480916
ethyl 3-[2-[(2-methylpropan-2-yl)oxy]phenyl]prop-2-enoate
CID 140807744
ethyl (E)-3-(2-methylselanylphenyl)prop-2-enoate
CID 134890301
ethyl (E)-3-(1-benzothiophen-3-yl)prop-2-enoate
CID 67918737
ethyl (E)-3-pyrazolo[1,5-a]pyridin-3-ylprop-2-enoate
CID 165477367
trans-ethyl (1S,2S)-2-[(E)-3-(1-methylindol-3-yl)prop-2-enoyl]cyclopropane-1-carboxylate
CID 10827850
ethyl 3-(2-iodophenyl)prop-2-enoate
CID 74333106
ethyl 3-(2-aminophenyl)prop-2-enoate;hydrochloride
CID 70254002

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[1-(1-acetyloxy-2-methylpropan-2-yl)indol-3-yl]prop-2-enoate?
The IUPAC name of ethyl (E)-3-[1-(1-acetyloxy-2-methylpropan-2-yl)indol-3-yl]prop-2-enoate (CID 11232746) is ethyl (E)-3-[1-(1-acetyloxy-2-methylpropan-2-yl)indol-3-yl]prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[1-(1-acetyloxy-2-methylpropan-2-yl)indol-3-yl]prop-2-enoate?
The canonical SMILES for ethyl (E)-3-[1-(1-acetyloxy-2-methylpropan-2-yl)indol-3-yl]prop-2-enoate is CCOC(=O)/C=C/c1cn(C(C)(C)COC(C)=O)c2ccccc12.
What is the InChIKey of ethyl (E)-3-[1-(1-acetyloxy-2-methylpropan-2-yl)indol-3-yl]prop-2-enoate?
The InChIKey is MEJPNPMVWVWCEI-ZHACJKMWSA-N. The full InChI is InChI=1S/C19H23NO4/c1-5-23-18(22)11-10-15-12-20(17-9-7-6-8-16(15)17)19(3,4)13-24-14(2)21/h6-12H,5,13H2,1-4H3/b11-10+.
What are the key properties of ethyl (E)-3-[1-(1-acetyloxy-2-methylpropan-2-yl)indol-3-yl]prop-2-enoate?
ethyl (E)-3-[1-(1-acetyloxy-2-methylpropan-2-yl)indol-3-yl]prop-2-enoate has a molecular weight of 329.40 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[1-(1-acetyloxy-2-methylpropan-2-yl)indol-3-yl]prop-2-enoate is sourced from PubChem (CID 11232746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).