(3Z)-3-butan-2-ylidene-1-ethyl-2,5-dimethylidenepyrrolidine

C12H19N — CID 20723072

IUPAC(3Z)-3-butan-2-ylidene-1-ethyl-2,5-dimethylidenepyrrolidine
SMILESC=C1C/C(=C(\C)CC)C(=C)N1CC
InChIInChI=1S/C12H19N/c1-6-9(3)12-8-10(4)13(7-2)11(12)5/h4-8H2,1-3H3/b12-9-
InChIKeyCZXUOFMDOYZIRU-XFXZXTDPSA-N
MW177.29 g/mol
LogP3.47
Rot. Bonds2

About (3Z)-3-butan-2-ylidene-1-ethyl-2,5-dimethylidenepyrrolidine

(3Z)-3-butan-2-ylidene-1-ethyl-2,5-dimethylidenepyrrolidine (PubChem CID 20723072) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is (3Z)-3-butan-2-ylidene-1-ethyl-2,5-dimethylidenepyrrolidine.

Molecular Properties

Compound Name(3Z)-3-butan-2-ylidene-1-ethyl-2,5-dimethylidenepyrrolidine
PubChem CID20723072
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name(3Z)-3-butan-2-ylidene-1-ethyl-2,5-dimethylidenepyrrolidine
SMILESC=C1C/C(=C(\C)CC)C(=C)N1CC
InChIInChI=1S/C12H19N/c1-6-9(3)12-8-10(4)13(7-2)11(12)5/h4-8H2,1-3H3/b12-9-
InChIKeyCZXUOFMDOYZIRU-XFXZXTDPSA-N
XLogP3.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-butan-2-ylidene-1-ethyl-2,5-dimethylidenepyrrolidine?
The IUPAC name of (3Z)-3-butan-2-ylidene-1-ethyl-2,5-dimethylidenepyrrolidine (CID 20723072) is (3Z)-3-butan-2-ylidene-1-ethyl-2,5-dimethylidenepyrrolidine.
What is the SMILES notation for (3Z)-3-butan-2-ylidene-1-ethyl-2,5-dimethylidenepyrrolidine?
The canonical SMILES for (3Z)-3-butan-2-ylidene-1-ethyl-2,5-dimethylidenepyrrolidine is C=C1C/C(=C(\C)CC)C(=C)N1CC.
What is the InChIKey of (3Z)-3-butan-2-ylidene-1-ethyl-2,5-dimethylidenepyrrolidine?
The InChIKey is CZXUOFMDOYZIRU-XFXZXTDPSA-N. The full InChI is InChI=1S/C12H19N/c1-6-9(3)12-8-10(4)13(7-2)11(12)5/h4-8H2,1-3H3/b12-9-.
What are the key properties of (3Z)-3-butan-2-ylidene-1-ethyl-2,5-dimethylidenepyrrolidine?
(3Z)-3-butan-2-ylidene-1-ethyl-2,5-dimethylidenepyrrolidine has a molecular weight of 177.29 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-butan-2-ylidene-1-ethyl-2,5-dimethylidenepyrrolidine is sourced from PubChem (CID 20723072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).