(E)-3-(1H-indol-3-yl)prop-2-enoate

C11H8NO2- — CID 6931339

IUPAC(E)-3-(1H-indol-3-yl)prop-2-enoate
SMILESO=C([O-])/C=C/c1c[nH]c2ccccc12
InChIInChI=1S/C11H9NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-7,12H,(H,13,14)/p-1/b6-5+
InChIKeyPLVPPLCLBIEYEA-AATRIKPKSA-M
MW186.19 g/mol
LogP0.93
Rot. Bonds2

About (E)-3-(1H-indol-3-yl)prop-2-enoate

(E)-3-(1H-indol-3-yl)prop-2-enoate (PubChem CID 6931339) has the molecular formula C11H8NO2- and a molecular weight of 186.19 g/mol. Its IUPAC name is (E)-3-(1H-indol-3-yl)prop-2-enoate.

Molecular Properties

Compound Name(E)-3-(1H-indol-3-yl)prop-2-enoate
PubChem CID6931339
Molecular FormulaC11H8NO2-
Molecular Weight186.19 g/mol
Exact Mass186.06
IUPAC Name(E)-3-(1H-indol-3-yl)prop-2-enoate
SMILESO=C([O-])/C=C/c1c[nH]c2ccccc12
InChIInChI=1S/C11H9NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-7,12H,(H,13,14)/p-1/b6-5+
InChIKeyPLVPPLCLBIEYEA-AATRIKPKSA-M
XLogP0.93
TPSA55.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.19
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(1H-indol-3-yl)prop-2-enoate?
The IUPAC name of (E)-3-(1H-indol-3-yl)prop-2-enoate (CID 6931339) is (E)-3-(1H-indol-3-yl)prop-2-enoate.
What is the SMILES notation for (E)-3-(1H-indol-3-yl)prop-2-enoate?
The canonical SMILES for (E)-3-(1H-indol-3-yl)prop-2-enoate is O=C([O-])/C=C/c1c[nH]c2ccccc12.
What is the InChIKey of (E)-3-(1H-indol-3-yl)prop-2-enoate?
The InChIKey is PLVPPLCLBIEYEA-AATRIKPKSA-M. The full InChI is InChI=1S/C11H9NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-7,12H,(H,13,14)/p-1/b6-5+.
What are the key properties of (E)-3-(1H-indol-3-yl)prop-2-enoate?
(E)-3-(1H-indol-3-yl)prop-2-enoate has a molecular weight of 186.19 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1H-indol-3-yl)prop-2-enoate is sourced from PubChem (CID 6931339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).