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

C21H25ClN2 — CID 145325601

IUPAC4-[(4Z,5E)-1-(4-chlorophenyl)-5-ethylidene-4-prop-2-enylidenepyrrol-3-yl]-1-methylpiperidine
SMILESC=C/C=c1/c(C2CCN(C)CC2)cn(-c2ccc(Cl)cc2)/c1=C/C
InChIInChI=1S/C21H25ClN2/c1-4-6-19-20(16-11-13-23(3)14-12-16)15-24(21(19)5-2)18-9-7-17(22)8-10-18/h4-10,15-16H,1,11-14H2,2-3H3/b19-6-,21-5+
InChIKeyLEWNTNRSGVQXCE-BUWYRGAGSA-N
MW340.90 g/mol
LogP3.71
Rot. Bonds3

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

4-[(4Z,5E)-1-(4-chlorophenyl)-5-ethylidene-4-prop-2-enylidenepyrrol-3-yl]-1-methylpiperidine (PubChem CID 145325601) has the molecular formula C21H25ClN2 and a molecular weight of 340.90 g/mol. Its IUPAC name is 4-[(4Z,5E)-1-(4-chlorophenyl)-5-ethylidene-4-prop-2-enylidenepyrrol-3-yl]-1-methylpiperidine.

Molecular Properties

Compound Name4-[(4Z,5E)-1-(4-chlorophenyl)-5-ethylidene-4-prop-2-enylidenepyrrol-3-yl]-1-methylpiperidine
PubChem CID145325601
Molecular FormulaC21H25ClN2
Molecular Weight340.90 g/mol
Exact Mass340.17
IUPAC Name4-[(4Z,5E)-1-(4-chlorophenyl)-5-ethylidene-4-prop-2-enylidenepyrrol-3-yl]-1-methylpiperidine
SMILESC=C/C=c1/c(C2CCN(C)CC2)cn(-c2ccc(Cl)cc2)/c1=C/C
InChIInChI=1S/C21H25ClN2/c1-4-6-19-20(16-11-13-23(3)14-12-16)15-24(21(19)5-2)18-9-7-17(22)8-10-18/h4-10,15-16H,1,11-14H2,2-3H3/b19-6-,21-5+
InChIKeyLEWNTNRSGVQXCE-BUWYRGAGSA-N
XLogP3.71
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.90
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(4Z,5E)-1-(4-chlorophenyl)-5-ethylidene-4-prop-2-enylidenepyrrol-3-yl]-1-methylpiperidine?
The IUPAC name of 4-[(4Z,5E)-1-(4-chlorophenyl)-5-ethylidene-4-prop-2-enylidenepyrrol-3-yl]-1-methylpiperidine (CID 145325601) is 4-[(4Z,5E)-1-(4-chlorophenyl)-5-ethylidene-4-prop-2-enylidenepyrrol-3-yl]-1-methylpiperidine.
What is the SMILES notation for 4-[(4Z,5E)-1-(4-chlorophenyl)-5-ethylidene-4-prop-2-enylidenepyrrol-3-yl]-1-methylpiperidine?
The canonical SMILES for 4-[(4Z,5E)-1-(4-chlorophenyl)-5-ethylidene-4-prop-2-enylidenepyrrol-3-yl]-1-methylpiperidine is C=C/C=c1/c(C2CCN(C)CC2)cn(-c2ccc(Cl)cc2)/c1=C/C.
What is the InChIKey of 4-[(4Z,5E)-1-(4-chlorophenyl)-5-ethylidene-4-prop-2-enylidenepyrrol-3-yl]-1-methylpiperidine?
The InChIKey is LEWNTNRSGVQXCE-BUWYRGAGSA-N. The full InChI is InChI=1S/C21H25ClN2/c1-4-6-19-20(16-11-13-23(3)14-12-16)15-24(21(19)5-2)18-9-7-17(22)8-10-18/h4-10,15-16H,1,11-14H2,2-3H3/b19-6-,21-5+.
What are the key properties of 4-[(4Z,5E)-1-(4-chlorophenyl)-5-ethylidene-4-prop-2-enylidenepyrrol-3-yl]-1-methylpiperidine?
4-[(4Z,5E)-1-(4-chlorophenyl)-5-ethylidene-4-prop-2-enylidenepyrrol-3-yl]-1-methylpiperidine has a molecular weight of 340.90 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4Z,5E)-1-(4-chlorophenyl)-5-ethylidene-4-prop-2-enylidenepyrrol-3-yl]-1-methylpiperidine is sourced from PubChem (CID 145325601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).