(3E)-1-ethyl-3-(1-methoxyprop-2-enylidene)-2-methylidenepyrrole

C11H15NO — CID 145207363

IUPAC(3E)-1-ethyl-3-(1-methoxyprop-2-enylidene)-2-methylidenepyrrole
SMILESC=C/C(OC)=c1/ccn(CC)c1=C
InChIInChI=1S/C11H15NO/c1-5-11(13-4)10-7-8-12(6-2)9(10)3/h5,7-8H,1,3,6H2,2,4H3/b11-10+
InChIKeyMRZKLJYSJIKUJE-ZHACJKMWSA-N
MW177.25 g/mol
LogP0.86
Rot. Bonds3

About (3E)-1-ethyl-3-(1-methoxyprop-2-enylidene)-2-methylidenepyrrole

(3E)-1-ethyl-3-(1-methoxyprop-2-enylidene)-2-methylidenepyrrole (PubChem CID 145207363) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (3E)-1-ethyl-3-(1-methoxyprop-2-enylidene)-2-methylidenepyrrole.

Molecular Properties

Compound Name(3E)-1-ethyl-3-(1-methoxyprop-2-enylidene)-2-methylidenepyrrole
PubChem CID145207363
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(3E)-1-ethyl-3-(1-methoxyprop-2-enylidene)-2-methylidenepyrrole
SMILESC=C/C(OC)=c1/ccn(CC)c1=C
InChIInChI=1S/C11H15NO/c1-5-11(13-4)10-7-8-12(6-2)9(10)3/h5,7-8H,1,3,6H2,2,4H3/b11-10+
InChIKeyMRZKLJYSJIKUJE-ZHACJKMWSA-N
XLogP0.86
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3E)-1-ethyl-3-(1-methoxyprop-2-enylidene)-2-methylidenepyrrole?
The IUPAC name of (3E)-1-ethyl-3-(1-methoxyprop-2-enylidene)-2-methylidenepyrrole (CID 145207363) is (3E)-1-ethyl-3-(1-methoxyprop-2-enylidene)-2-methylidenepyrrole.
What is the SMILES notation for (3E)-1-ethyl-3-(1-methoxyprop-2-enylidene)-2-methylidenepyrrole?
The canonical SMILES for (3E)-1-ethyl-3-(1-methoxyprop-2-enylidene)-2-methylidenepyrrole is C=C/C(OC)=c1/ccn(CC)c1=C.
What is the InChIKey of (3E)-1-ethyl-3-(1-methoxyprop-2-enylidene)-2-methylidenepyrrole?
The InChIKey is MRZKLJYSJIKUJE-ZHACJKMWSA-N. The full InChI is InChI=1S/C11H15NO/c1-5-11(13-4)10-7-8-12(6-2)9(10)3/h5,7-8H,1,3,6H2,2,4H3/b11-10+.
What are the key properties of (3E)-1-ethyl-3-(1-methoxyprop-2-enylidene)-2-methylidenepyrrole?
(3E)-1-ethyl-3-(1-methoxyprop-2-enylidene)-2-methylidenepyrrole has a molecular weight of 177.25 g/mol, XLogP of 0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1-ethyl-3-(1-methoxyprop-2-enylidene)-2-methylidenepyrrole is sourced from PubChem (CID 145207363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).