(2E)-3-methylidene-2-prop-2-enylidene-1H-pyrrole

C8H9N — CID 118461686

IUPAC(2E)-3-methylidene-2-prop-2-enylidene-1H-pyrrole
SMILESC=C/C=c1/[nH]ccc1=C
InChIInChI=1S/C8H9N/c1-3-4-8-7(2)5-6-9-8/h3-6,9H,1-2H2/b8-4+
InChIKeyQODWDYNJFHJVDE-XBXARRHUSA-N
MW119.17 g/mol
LogP0.39
Rot. Bonds1

About (2E)-3-methylidene-2-prop-2-enylidene-1H-pyrrole

(2E)-3-methylidene-2-prop-2-enylidene-1H-pyrrole (PubChem CID 118461686) has the molecular formula C8H9N and a molecular weight of 119.17 g/mol. Its IUPAC name is (2E)-3-methylidene-2-prop-2-enylidene-1H-pyrrole.

Molecular Properties

Compound Name(2E)-3-methylidene-2-prop-2-enylidene-1H-pyrrole
PubChem CID118461686
Molecular FormulaC8H9N
Molecular Weight119.17 g/mol
Exact Mass119.07
IUPAC Name(2E)-3-methylidene-2-prop-2-enylidene-1H-pyrrole
SMILESC=C/C=c1/[nH]ccc1=C
InChIInChI=1S/C8H9N/c1-3-4-8-7(2)5-6-9-8/h3-6,9H,1-2H2/b8-4+
InChIKeyQODWDYNJFHJVDE-XBXARRHUSA-N
XLogP0.39
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.17
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (2E)-3-methylidene-2-prop-2-enylidene-1H-pyrrole?
The IUPAC name of (2E)-3-methylidene-2-prop-2-enylidene-1H-pyrrole (CID 118461686) is (2E)-3-methylidene-2-prop-2-enylidene-1H-pyrrole.
What is the SMILES notation for (2E)-3-methylidene-2-prop-2-enylidene-1H-pyrrole?
The canonical SMILES for (2E)-3-methylidene-2-prop-2-enylidene-1H-pyrrole is C=C/C=c1/[nH]ccc1=C.
What is the InChIKey of (2E)-3-methylidene-2-prop-2-enylidene-1H-pyrrole?
The InChIKey is QODWDYNJFHJVDE-XBXARRHUSA-N. The full InChI is InChI=1S/C8H9N/c1-3-4-8-7(2)5-6-9-8/h3-6,9H,1-2H2/b8-4+.
What are the key properties of (2E)-3-methylidene-2-prop-2-enylidene-1H-pyrrole?
(2E)-3-methylidene-2-prop-2-enylidene-1H-pyrrole has a molecular weight of 119.17 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-methylidene-2-prop-2-enylidene-1H-pyrrole is sourced from PubChem (CID 118461686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).