(2E,3Z)-2-[(Z)-but-2-enylidene]-5-methyl-1-propan-2-yl-3-prop-2-enylidenepyrrole

C15H21N — CID 164911791

IUPAC(2E,3Z)-2-[(Z)-but-2-enylidene]-5-methyl-1-propan-2-yl-3-prop-2-enylidenepyrrole
SMILESC=C/C=c1/cc(C)n(C(C)C)/c1=C/C=C\C
InChIInChI=1S/C15H21N/c1-6-8-10-15-14(9-7-2)11-13(5)16(15)12(3)4/h6-12H,2H2,1,3-5H3/b8-6-,14-9-,15-10+
InChIKeyYNUBBLICFLOBIG-ZJBKXLFBSA-N
MW215.34 g/mol
LogP2.70
Rot. Bonds3

About (2E,3Z)-2-[(Z)-but-2-enylidene]-5-methyl-1-propan-2-yl-3-prop-2-enylidenepyrrole

(2E,3Z)-2-[(Z)-but-2-enylidene]-5-methyl-1-propan-2-yl-3-prop-2-enylidenepyrrole (PubChem CID 164911791) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is (2E,3Z)-2-[(Z)-but-2-enylidene]-5-methyl-1-propan-2-yl-3-prop-2-enylidenepyrrole.

Molecular Properties

Compound Name(2E,3Z)-2-[(Z)-but-2-enylidene]-5-methyl-1-propan-2-yl-3-prop-2-enylidenepyrrole
PubChem CID164911791
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name(2E,3Z)-2-[(Z)-but-2-enylidene]-5-methyl-1-propan-2-yl-3-prop-2-enylidenepyrrole
SMILESC=C/C=c1/cc(C)n(C(C)C)/c1=C/C=C\C
InChIInChI=1S/C15H21N/c1-6-8-10-15-14(9-7-2)11-13(5)16(15)12(3)4/h6-12H,2H2,1,3-5H3/b8-6-,14-9-,15-10+
InChIKeyYNUBBLICFLOBIG-ZJBKXLFBSA-N
XLogP2.70
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-2-[(Z)-but-2-enylidene]-5-methyl-1-propan-2-yl-3-prop-2-enylidenepyrrole?
The IUPAC name of (2E,3Z)-2-[(Z)-but-2-enylidene]-5-methyl-1-propan-2-yl-3-prop-2-enylidenepyrrole (CID 164911791) is (2E,3Z)-2-[(Z)-but-2-enylidene]-5-methyl-1-propan-2-yl-3-prop-2-enylidenepyrrole.
What is the SMILES notation for (2E,3Z)-2-[(Z)-but-2-enylidene]-5-methyl-1-propan-2-yl-3-prop-2-enylidenepyrrole?
The canonical SMILES for (2E,3Z)-2-[(Z)-but-2-enylidene]-5-methyl-1-propan-2-yl-3-prop-2-enylidenepyrrole is C=C/C=c1/cc(C)n(C(C)C)/c1=C/C=C\C.
What is the InChIKey of (2E,3Z)-2-[(Z)-but-2-enylidene]-5-methyl-1-propan-2-yl-3-prop-2-enylidenepyrrole?
The InChIKey is YNUBBLICFLOBIG-ZJBKXLFBSA-N. The full InChI is InChI=1S/C15H21N/c1-6-8-10-15-14(9-7-2)11-13(5)16(15)12(3)4/h6-12H,2H2,1,3-5H3/b8-6-,14-9-,15-10+.
What are the key properties of (2E,3Z)-2-[(Z)-but-2-enylidene]-5-methyl-1-propan-2-yl-3-prop-2-enylidenepyrrole?
(2E,3Z)-2-[(Z)-but-2-enylidene]-5-methyl-1-propan-2-yl-3-prop-2-enylidenepyrrole has a molecular weight of 215.34 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-2-[(Z)-but-2-enylidene]-5-methyl-1-propan-2-yl-3-prop-2-enylidenepyrrole is sourced from PubChem (CID 164911791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).