(E)-3-(2-methylfuran-3-yl)prop-2-en-1-amine

C8H11NO — CID 131237474

IUPAC(E)-3-(2-methylfuran-3-yl)prop-2-en-1-amine
SMILESCc1occc1/C=C/CN
InChIInChI=1S/C8H11NO/c1-7-8(3-2-5-9)4-6-10-7/h2-4,6H,5,9H2,1H3/b3-2+
InChIKeyFFSMGQJTKWJVIF-NSCUHMNNSA-N
MW137.18 g/mol
LogP1.56
Rot. Bonds2

About (E)-3-(2-methylfuran-3-yl)prop-2-en-1-amine

(E)-3-(2-methylfuran-3-yl)prop-2-en-1-amine (PubChem CID 131237474) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is (E)-3-(2-methylfuran-3-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(2-methylfuran-3-yl)prop-2-en-1-amine
PubChem CID131237474
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name(E)-3-(2-methylfuran-3-yl)prop-2-en-1-amine
SMILESCc1occc1/C=C/CN
InChIInChI=1S/C8H11NO/c1-7-8(3-2-5-9)4-6-10-7/h2-4,6H,5,9H2,1H3/b3-2+
InChIKeyFFSMGQJTKWJVIF-NSCUHMNNSA-N
XLogP1.56
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-methylfuran-3-yl)prop-2-en-1-amine?
The IUPAC name of (E)-3-(2-methylfuran-3-yl)prop-2-en-1-amine (CID 131237474) is (E)-3-(2-methylfuran-3-yl)prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(2-methylfuran-3-yl)prop-2-en-1-amine?
The canonical SMILES for (E)-3-(2-methylfuran-3-yl)prop-2-en-1-amine is Cc1occc1/C=C/CN.
What is the InChIKey of (E)-3-(2-methylfuran-3-yl)prop-2-en-1-amine?
The InChIKey is FFSMGQJTKWJVIF-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H11NO/c1-7-8(3-2-5-9)4-6-10-7/h2-4,6H,5,9H2,1H3/b3-2+.
What are the key properties of (E)-3-(2-methylfuran-3-yl)prop-2-en-1-amine?
(E)-3-(2-methylfuran-3-yl)prop-2-en-1-amine has a molecular weight of 137.18 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-methylfuran-3-yl)prop-2-en-1-amine is sourced from PubChem (CID 131237474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).