(E)-2-(7-fluoro-2-methyl-1H-indol-3-yl)ethenamine

C11H11FN2 — CID 142460303

IUPAC(E)-2-(7-fluoro-2-methyl-1H-indol-3-yl)ethenamine
SMILESCc1[nH]c2c(F)cccc2c1/C=C/N
InChIInChI=1S/C11H11FN2/c1-7-8(5-6-13)9-3-2-4-10(12)11(9)14-7/h2-6,14H,13H2,1H3/b6-5+
InChIKeyMPKMBGACJJENJU-AATRIKPKSA-N
MW190.22 g/mol
LogP2.54
Rot. Bonds1

About (E)-2-(7-fluoro-2-methyl-1H-indol-3-yl)ethenamine

(E)-2-(7-fluoro-2-methyl-1H-indol-3-yl)ethenamine (PubChem CID 142460303) has the molecular formula C11H11FN2 and a molecular weight of 190.22 g/mol. Its IUPAC name is (E)-2-(7-fluoro-2-methyl-1H-indol-3-yl)ethenamine.

Molecular Properties

Compound Name(E)-2-(7-fluoro-2-methyl-1H-indol-3-yl)ethenamine
PubChem CID142460303
Molecular FormulaC11H11FN2
Molecular Weight190.22 g/mol
Exact Mass190.09
IUPAC Name(E)-2-(7-fluoro-2-methyl-1H-indol-3-yl)ethenamine
SMILESCc1[nH]c2c(F)cccc2c1/C=C/N
InChIInChI=1S/C11H11FN2/c1-7-8(5-6-13)9-3-2-4-10(12)11(9)14-7/h2-6,14H,13H2,1H3/b6-5+
InChIKeyMPKMBGACJJENJU-AATRIKPKSA-N
XLogP2.54
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(7-fluoro-2-methyl-1H-indol-3-yl)ethenamine?
The IUPAC name of (E)-2-(7-fluoro-2-methyl-1H-indol-3-yl)ethenamine (CID 142460303) is (E)-2-(7-fluoro-2-methyl-1H-indol-3-yl)ethenamine.
What is the SMILES notation for (E)-2-(7-fluoro-2-methyl-1H-indol-3-yl)ethenamine?
The canonical SMILES for (E)-2-(7-fluoro-2-methyl-1H-indol-3-yl)ethenamine is Cc1[nH]c2c(F)cccc2c1/C=C/N.
What is the InChIKey of (E)-2-(7-fluoro-2-methyl-1H-indol-3-yl)ethenamine?
The InChIKey is MPKMBGACJJENJU-AATRIKPKSA-N. The full InChI is InChI=1S/C11H11FN2/c1-7-8(5-6-13)9-3-2-4-10(12)11(9)14-7/h2-6,14H,13H2,1H3/b6-5+.
What are the key properties of (E)-2-(7-fluoro-2-methyl-1H-indol-3-yl)ethenamine?
(E)-2-(7-fluoro-2-methyl-1H-indol-3-yl)ethenamine has a molecular weight of 190.22 g/mol, XLogP of 2.54, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(7-fluoro-2-methyl-1H-indol-3-yl)ethenamine is sourced from PubChem (CID 142460303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).