2-[(4Z,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-1H-pyrrol-3-yl]-N,N-dimethylethanamine

C14H22N2 — CID 167138528

IUPAC2-[(4Z,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-1H-pyrrol-3-yl]-N,N-dimethylethanamine
SMILESC/C=C\C=c1\[nH]cc(CCN(C)C)\c1=C\C
InChIInChI=1S/C14H22N2/c1-5-7-8-14-13(6-2)12(11-15-14)9-10-16(3)4/h5-8,11,15H,9-10H2,1-4H3/b7-5-,13-6-,14-8+
InChIKeyHMLVNEXCESADMH-DXCNYTGTSA-N
MW218.34 g/mol
LogP1.28
Rot. Bonds4

About 2-[(4Z,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-1H-pyrrol-3-yl]-N,N-dimethylethanamine

2-[(4Z,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-1H-pyrrol-3-yl]-N,N-dimethylethanamine (PubChem CID 167138528) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-[(4Z,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-1H-pyrrol-3-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[(4Z,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-1H-pyrrol-3-yl]-N,N-dimethylethanamine
PubChem CID167138528
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2-[(4Z,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-1H-pyrrol-3-yl]-N,N-dimethylethanamine
SMILESC/C=C\C=c1\[nH]cc(CCN(C)C)\c1=C\C
InChIInChI=1S/C14H22N2/c1-5-7-8-14-13(6-2)12(11-15-14)9-10-16(3)4/h5-8,11,15H,9-10H2,1-4H3/b7-5-,13-6-,14-8+
InChIKeyHMLVNEXCESADMH-DXCNYTGTSA-N
XLogP1.28
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(4Z,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-1H-pyrrol-3-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[(4Z,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-1H-pyrrol-3-yl]-N,N-dimethylethanamine (CID 167138528) is 2-[(4Z,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-1H-pyrrol-3-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[(4Z,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-1H-pyrrol-3-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[(4Z,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-1H-pyrrol-3-yl]-N,N-dimethylethanamine is C/C=C\C=c1\[nH]cc(CCN(C)C)\c1=C\C.
What is the InChIKey of 2-[(4Z,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-1H-pyrrol-3-yl]-N,N-dimethylethanamine?
The InChIKey is HMLVNEXCESADMH-DXCNYTGTSA-N. The full InChI is InChI=1S/C14H22N2/c1-5-7-8-14-13(6-2)12(11-15-14)9-10-16(3)4/h5-8,11,15H,9-10H2,1-4H3/b7-5-,13-6-,14-8+.
What are the key properties of 2-[(4Z,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-1H-pyrrol-3-yl]-N,N-dimethylethanamine?
2-[(4Z,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-1H-pyrrol-3-yl]-N,N-dimethylethanamine has a molecular weight of 218.34 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4Z,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-1H-pyrrol-3-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 167138528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).