4-[(4E,5E)-1-(4-chlorophenyl)-5-ethylidene-4-prop-2-enylidenepyrrol-3-yl]morpholine

C19H21ClN2O — CID 88905177

IUPAC4-[(4E,5E)-1-(4-chlorophenyl)-5-ethylidene-4-prop-2-enylidenepyrrol-3-yl]morpholine
SMILESC=C/C=c1/c(N2CCOCC2)cn(-c2ccc(Cl)cc2)/c1=C/C
InChIInChI=1S/C19H21ClN2O/c1-3-5-17-18(4-2)22(16-8-6-15(20)7-9-16)14-19(17)21-10-12-23-13-11-21/h3-9,14H,1,10-13H2,2H3/b17-5+,18-4+
InChIKeyHXNZNUVMIHKTQQ-RNYCDPPRSA-N
MW328.84 g/mol
LogP2.73
Rot. Bonds3

About 4-[(4E,5E)-1-(4-chlorophenyl)-5-ethylidene-4-prop-2-enylidenepyrrol-3-yl]morpholine

4-[(4E,5E)-1-(4-chlorophenyl)-5-ethylidene-4-prop-2-enylidenepyrrol-3-yl]morpholine (PubChem CID 88905177) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is 4-[(4E,5E)-1-(4-chlorophenyl)-5-ethylidene-4-prop-2-enylidenepyrrol-3-yl]morpholine.

Molecular Properties

Compound Name4-[(4E,5E)-1-(4-chlorophenyl)-5-ethylidene-4-prop-2-enylidenepyrrol-3-yl]morpholine
PubChem CID88905177
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name4-[(4E,5E)-1-(4-chlorophenyl)-5-ethylidene-4-prop-2-enylidenepyrrol-3-yl]morpholine
SMILESC=C/C=c1/c(N2CCOCC2)cn(-c2ccc(Cl)cc2)/c1=C/C
InChIInChI=1S/C19H21ClN2O/c1-3-5-17-18(4-2)22(16-8-6-15(20)7-9-16)14-19(17)21-10-12-23-13-11-21/h3-9,14H,1,10-13H2,2H3/b17-5+,18-4+
InChIKeyHXNZNUVMIHKTQQ-RNYCDPPRSA-N
XLogP2.73
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[(4E,5E)-1-(4-chlorophenyl)-5-ethylidene-4-prop-2-enylidenepyrrol-3-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(4E,5E)-1-(4-chlorophenyl)-5-ethylidene-4-prop-2-enylidenepyrrol-3-yl]morpholine?
The IUPAC name of 4-[(4E,5E)-1-(4-chlorophenyl)-5-ethylidene-4-prop-2-enylidenepyrrol-3-yl]morpholine (CID 88905177) is 4-[(4E,5E)-1-(4-chlorophenyl)-5-ethylidene-4-prop-2-enylidenepyrrol-3-yl]morpholine.
What is the SMILES notation for 4-[(4E,5E)-1-(4-chlorophenyl)-5-ethylidene-4-prop-2-enylidenepyrrol-3-yl]morpholine?
The canonical SMILES for 4-[(4E,5E)-1-(4-chlorophenyl)-5-ethylidene-4-prop-2-enylidenepyrrol-3-yl]morpholine is C=C/C=c1/c(N2CCOCC2)cn(-c2ccc(Cl)cc2)/c1=C/C.
What is the InChIKey of 4-[(4E,5E)-1-(4-chlorophenyl)-5-ethylidene-4-prop-2-enylidenepyrrol-3-yl]morpholine?
The InChIKey is HXNZNUVMIHKTQQ-RNYCDPPRSA-N. The full InChI is InChI=1S/C19H21ClN2O/c1-3-5-17-18(4-2)22(16-8-6-15(20)7-9-16)14-19(17)21-10-12-23-13-11-21/h3-9,14H,1,10-13H2,2H3/b17-5+,18-4+.
What are the key properties of 4-[(4E,5E)-1-(4-chlorophenyl)-5-ethylidene-4-prop-2-enylidenepyrrol-3-yl]morpholine?
4-[(4E,5E)-1-(4-chlorophenyl)-5-ethylidene-4-prop-2-enylidenepyrrol-3-yl]morpholine has a molecular weight of 328.84 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4E,5E)-1-(4-chlorophenyl)-5-ethylidene-4-prop-2-enylidenepyrrol-3-yl]morpholine is sourced from PubChem (CID 88905177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).