(2E)-2-[(Z)-but-2-enylidene]-3-butyl-1-methylpyrrolidine

C13H23N — CID 129238731

IUPAC(2E)-2-[(Z)-but-2-enylidene]-3-butyl-1-methylpyrrolidine
SMILESC/C=C\C=C1/C(CCCC)CCN1C
InChIInChI=1S/C13H23N/c1-4-6-8-12-10-11-14(3)13(12)9-7-5-2/h5,7,9,12H,4,6,8,10-11H2,1-3H3/b7-5-,13-9+
InChIKeyKEPXVLWMYAJADZ-YNKPAJJNSA-N
MW193.33 g/mol
LogP3.59
Rot. Bonds4

About (2E)-2-[(Z)-but-2-enylidene]-3-butyl-1-methylpyrrolidine

(2E)-2-[(Z)-but-2-enylidene]-3-butyl-1-methylpyrrolidine (PubChem CID 129238731) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is (2E)-2-[(Z)-but-2-enylidene]-3-butyl-1-methylpyrrolidine.

Molecular Properties

Compound Name(2E)-2-[(Z)-but-2-enylidene]-3-butyl-1-methylpyrrolidine
PubChem CID129238731
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name(2E)-2-[(Z)-but-2-enylidene]-3-butyl-1-methylpyrrolidine
SMILESC/C=C\C=C1/C(CCCC)CCN1C
InChIInChI=1S/C13H23N/c1-4-6-8-12-10-11-14(3)13(12)9-7-5-2/h5,7,9,12H,4,6,8,10-11H2,1-3H3/b7-5-,13-9+
InChIKeyKEPXVLWMYAJADZ-YNKPAJJNSA-N
XLogP3.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(Z)-but-2-enylidene]-3-butyl-1-methylpyrrolidine?
The IUPAC name of (2E)-2-[(Z)-but-2-enylidene]-3-butyl-1-methylpyrrolidine (CID 129238731) is (2E)-2-[(Z)-but-2-enylidene]-3-butyl-1-methylpyrrolidine.
What is the SMILES notation for (2E)-2-[(Z)-but-2-enylidene]-3-butyl-1-methylpyrrolidine?
The canonical SMILES for (2E)-2-[(Z)-but-2-enylidene]-3-butyl-1-methylpyrrolidine is C/C=C\C=C1/C(CCCC)CCN1C.
What is the InChIKey of (2E)-2-[(Z)-but-2-enylidene]-3-butyl-1-methylpyrrolidine?
The InChIKey is KEPXVLWMYAJADZ-YNKPAJJNSA-N. The full InChI is InChI=1S/C13H23N/c1-4-6-8-12-10-11-14(3)13(12)9-7-5-2/h5,7,9,12H,4,6,8,10-11H2,1-3H3/b7-5-,13-9+.
What are the key properties of (2E)-2-[(Z)-but-2-enylidene]-3-butyl-1-methylpyrrolidine?
(2E)-2-[(Z)-but-2-enylidene]-3-butyl-1-methylpyrrolidine has a molecular weight of 193.33 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(Z)-but-2-enylidene]-3-butyl-1-methylpyrrolidine is sourced from PubChem (CID 129238731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).