(2Z,5E)-2-[(Z)-but-2-enylidene]-6-methylidene-5-prop-2-enylidene-1,3,7,8-tetrahydropyrrolizine

C15H19N — CID 88591713

IUPAC(2Z,5E)-2-[(Z)-but-2-enylidene]-6-methylidene-5-prop-2-enylidene-1,3,7,8-tetrahydropyrrolizine
SMILESC=C/C=C1\C(=C)CC2C/C(=C/C=C\C)CN12
InChIInChI=1S/C15H19N/c1-4-6-8-13-10-14-9-12(3)15(7-5-2)16(14)11-13/h4-8,14H,2-3,9-11H2,1H3/b6-4-,13-8-,15-7+
InChIKeyFXYOERFLLNXOER-AYVVOTKXSA-N
MW213.32 g/mol
LogP3.59
Rot. Bonds2

About (2Z,5E)-2-[(Z)-but-2-enylidene]-6-methylidene-5-prop-2-enylidene-1,3,7,8-tetrahydropyrrolizine

(2Z,5E)-2-[(Z)-but-2-enylidene]-6-methylidene-5-prop-2-enylidene-1,3,7,8-tetrahydropyrrolizine (PubChem CID 88591713) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is (2Z,5E)-2-[(Z)-but-2-enylidene]-6-methylidene-5-prop-2-enylidene-1,3,7,8-tetrahydropyrrolizine.

Molecular Properties

Compound Name(2Z,5E)-2-[(Z)-but-2-enylidene]-6-methylidene-5-prop-2-enylidene-1,3,7,8-tetrahydropyrrolizine
PubChem CID88591713
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name(2Z,5E)-2-[(Z)-but-2-enylidene]-6-methylidene-5-prop-2-enylidene-1,3,7,8-tetrahydropyrrolizine
SMILESC=C/C=C1\C(=C)CC2C/C(=C/C=C\C)CN12
InChIInChI=1S/C15H19N/c1-4-6-8-13-10-14-9-12(3)15(7-5-2)16(14)11-13/h4-8,14H,2-3,9-11H2,1H3/b6-4-,13-8-,15-7+
InChIKeyFXYOERFLLNXOER-AYVVOTKXSA-N
XLogP3.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2Z,5E)-2-[(Z)-but-2-enylidene]-6-methylidene-5-prop-2-enylidene-1,3,7,8-tetrahydropyrrolizine?
The IUPAC name of (2Z,5E)-2-[(Z)-but-2-enylidene]-6-methylidene-5-prop-2-enylidene-1,3,7,8-tetrahydropyrrolizine (CID 88591713) is (2Z,5E)-2-[(Z)-but-2-enylidene]-6-methylidene-5-prop-2-enylidene-1,3,7,8-tetrahydropyrrolizine.
What is the SMILES notation for (2Z,5E)-2-[(Z)-but-2-enylidene]-6-methylidene-5-prop-2-enylidene-1,3,7,8-tetrahydropyrrolizine?
The canonical SMILES for (2Z,5E)-2-[(Z)-but-2-enylidene]-6-methylidene-5-prop-2-enylidene-1,3,7,8-tetrahydropyrrolizine is C=C/C=C1\C(=C)CC2C/C(=C/C=C\C)CN12.
What is the InChIKey of (2Z,5E)-2-[(Z)-but-2-enylidene]-6-methylidene-5-prop-2-enylidene-1,3,7,8-tetrahydropyrrolizine?
The InChIKey is FXYOERFLLNXOER-AYVVOTKXSA-N. The full InChI is InChI=1S/C15H19N/c1-4-6-8-13-10-14-9-12(3)15(7-5-2)16(14)11-13/h4-8,14H,2-3,9-11H2,1H3/b6-4-,13-8-,15-7+.
What are the key properties of (2Z,5E)-2-[(Z)-but-2-enylidene]-6-methylidene-5-prop-2-enylidene-1,3,7,8-tetrahydropyrrolizine?
(2Z,5E)-2-[(Z)-but-2-enylidene]-6-methylidene-5-prop-2-enylidene-1,3,7,8-tetrahydropyrrolizine has a molecular weight of 213.32 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5E)-2-[(Z)-but-2-enylidene]-6-methylidene-5-prop-2-enylidene-1,3,7,8-tetrahydropyrrolizine is sourced from PubChem (CID 88591713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).