4-[(4E,5E)-5-ethylidene-4-prop-2-enylidene-1H-pyrrol-3-yl]morpholine

C13H18N2O — CID 89450142

IUPAC4-[(4E,5E)-5-ethylidene-4-prop-2-enylidene-1H-pyrrol-3-yl]morpholine
SMILESC=C/C=c1/c(N2CCOCC2)c[nH]/c1=C/C
InChIInChI=1S/C13H18N2O/c1-3-5-11-12(4-2)14-10-13(11)15-6-8-16-9-7-15/h3-5,10,14H,1,6-9H2,2H3/b11-5+,12-4+
InChIKeyNOEJMPUGNQXNST-TZBUTISVSA-N
MW218.30 g/mol
LogP0.62
Rot. Bonds2

About 4-[(4E,5E)-5-ethylidene-4-prop-2-enylidene-1H-pyrrol-3-yl]morpholine

4-[(4E,5E)-5-ethylidene-4-prop-2-enylidene-1H-pyrrol-3-yl]morpholine (PubChem CID 89450142) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-[(4E,5E)-5-ethylidene-4-prop-2-enylidene-1H-pyrrol-3-yl]morpholine.

Molecular Properties

Compound Name4-[(4E,5E)-5-ethylidene-4-prop-2-enylidene-1H-pyrrol-3-yl]morpholine
PubChem CID89450142
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name4-[(4E,5E)-5-ethylidene-4-prop-2-enylidene-1H-pyrrol-3-yl]morpholine
SMILESC=C/C=c1/c(N2CCOCC2)c[nH]/c1=C/C
InChIInChI=1S/C13H18N2O/c1-3-5-11-12(4-2)14-10-13(11)15-6-8-16-9-7-15/h3-5,10,14H,1,6-9H2,2H3/b11-5+,12-4+
InChIKeyNOEJMPUGNQXNST-TZBUTISVSA-N
XLogP0.62
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4E,5E)-5-ethylidene-4-prop-2-enylidene-1H-pyrrol-3-yl]morpholine?
The IUPAC name of 4-[(4E,5E)-5-ethylidene-4-prop-2-enylidene-1H-pyrrol-3-yl]morpholine (CID 89450142) is 4-[(4E,5E)-5-ethylidene-4-prop-2-enylidene-1H-pyrrol-3-yl]morpholine.
What is the SMILES notation for 4-[(4E,5E)-5-ethylidene-4-prop-2-enylidene-1H-pyrrol-3-yl]morpholine?
The canonical SMILES for 4-[(4E,5E)-5-ethylidene-4-prop-2-enylidene-1H-pyrrol-3-yl]morpholine is C=C/C=c1/c(N2CCOCC2)c[nH]/c1=C/C.
What is the InChIKey of 4-[(4E,5E)-5-ethylidene-4-prop-2-enylidene-1H-pyrrol-3-yl]morpholine?
The InChIKey is NOEJMPUGNQXNST-TZBUTISVSA-N. The full InChI is InChI=1S/C13H18N2O/c1-3-5-11-12(4-2)14-10-13(11)15-6-8-16-9-7-15/h3-5,10,14H,1,6-9H2,2H3/b11-5+,12-4+.
What are the key properties of 4-[(4E,5E)-5-ethylidene-4-prop-2-enylidene-1H-pyrrol-3-yl]morpholine?
4-[(4E,5E)-5-ethylidene-4-prop-2-enylidene-1H-pyrrol-3-yl]morpholine has a molecular weight of 218.30 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4E,5E)-5-ethylidene-4-prop-2-enylidene-1H-pyrrol-3-yl]morpholine is sourced from PubChem (CID 89450142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).