(2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidene-5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrrole

C14H19N — CID 176958582

IUPAC(2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidene-5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrrole
SMILESC/C=C\C=c1\c(/C=C\C)c(C)[nH]\c1=C\C
InChIInChI=1S/C14H19N/c1-5-8-10-13-12(9-6-2)11(4)15-14(13)7-3/h5-10,15H,1-4H3/b8-5-,9-6-,13-10-,14-7+
InChIKeyDVRAXDQRFRNPPH-MWVLYXBOSA-N
MW201.31 g/mol
LogP2.51
Rot. Bonds2

About (2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidene-5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrrole

(2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidene-5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrrole (PubChem CID 176958582) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is (2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidene-5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrrole.

Molecular Properties

Compound Name(2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidene-5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrrole
PubChem CID176958582
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name(2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidene-5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrrole
SMILESC/C=C\C=c1\c(/C=C\C)c(C)[nH]\c1=C\C
InChIInChI=1S/C14H19N/c1-5-8-10-13-12(9-6-2)11(4)15-14(13)7-3/h5-10,15H,1-4H3/b8-5-,9-6-,13-10-,14-7+
InChIKeyDVRAXDQRFRNPPH-MWVLYXBOSA-N
XLogP2.51
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidene-5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrrole?
The IUPAC name of (2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidene-5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrrole (CID 176958582) is (2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidene-5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrrole.
What is the SMILES notation for (2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidene-5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrrole?
The canonical SMILES for (2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidene-5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrrole is C/C=C\C=c1\c(/C=C\C)c(C)[nH]\c1=C\C.
What is the InChIKey of (2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidene-5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrrole?
The InChIKey is DVRAXDQRFRNPPH-MWVLYXBOSA-N. The full InChI is InChI=1S/C14H19N/c1-5-8-10-13-12(9-6-2)11(4)15-14(13)7-3/h5-10,15H,1-4H3/b8-5-,9-6-,13-10-,14-7+.
What are the key properties of (2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidene-5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrrole?
(2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidene-5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrrole has a molecular weight of 201.31 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-3-[(Z)-but-2-enylidene]-2-ethylidene-5-methyl-4-[(Z)-prop-1-enyl]-1H-pyrrole is sourced from PubChem (CID 176958582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).