(5E)-3-[(Z)-but-1-enyl]-5-butylidene-1,2-dimethylpyrrolidine

C14H25N — CID 138654886

IUPAC(5E)-3-[(Z)-but-1-enyl]-5-butylidene-1,2-dimethylpyrrolidine
SMILESCC/C=C\C1C/C(=C\CCC)N(C)C1C
InChIInChI=1S/C14H25N/c1-5-7-9-13-11-14(10-8-6-2)15(4)12(13)3/h7,9-10,12-13H,5-6,8,11H2,1-4H3/b9-7-,14-10+
InChIKeyRFPBOPFSSQTVKC-TUZZZSKRSA-N
MW207.36 g/mol
LogP3.98
Rot. Bonds4

About (5E)-3-[(Z)-but-1-enyl]-5-butylidene-1,2-dimethylpyrrolidine

(5E)-3-[(Z)-but-1-enyl]-5-butylidene-1,2-dimethylpyrrolidine (PubChem CID 138654886) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is (5E)-3-[(Z)-but-1-enyl]-5-butylidene-1,2-dimethylpyrrolidine.

Molecular Properties

Compound Name(5E)-3-[(Z)-but-1-enyl]-5-butylidene-1,2-dimethylpyrrolidine
PubChem CID138654886
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name(5E)-3-[(Z)-but-1-enyl]-5-butylidene-1,2-dimethylpyrrolidine
SMILESCC/C=C\C1C/C(=C\CCC)N(C)C1C
InChIInChI=1S/C14H25N/c1-5-7-9-13-11-14(10-8-6-2)15(4)12(13)3/h7,9-10,12-13H,5-6,8,11H2,1-4H3/b9-7-,14-10+
InChIKeyRFPBOPFSSQTVKC-TUZZZSKRSA-N
XLogP3.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-3-[(Z)-but-1-enyl]-5-butylidene-1,2-dimethylpyrrolidine?
The IUPAC name of (5E)-3-[(Z)-but-1-enyl]-5-butylidene-1,2-dimethylpyrrolidine (CID 138654886) is (5E)-3-[(Z)-but-1-enyl]-5-butylidene-1,2-dimethylpyrrolidine.
What is the SMILES notation for (5E)-3-[(Z)-but-1-enyl]-5-butylidene-1,2-dimethylpyrrolidine?
The canonical SMILES for (5E)-3-[(Z)-but-1-enyl]-5-butylidene-1,2-dimethylpyrrolidine is CC/C=C\C1C/C(=C\CCC)N(C)C1C.
What is the InChIKey of (5E)-3-[(Z)-but-1-enyl]-5-butylidene-1,2-dimethylpyrrolidine?
The InChIKey is RFPBOPFSSQTVKC-TUZZZSKRSA-N. The full InChI is InChI=1S/C14H25N/c1-5-7-9-13-11-14(10-8-6-2)15(4)12(13)3/h7,9-10,12-13H,5-6,8,11H2,1-4H3/b9-7-,14-10+.
What are the key properties of (5E)-3-[(Z)-but-1-enyl]-5-butylidene-1,2-dimethylpyrrolidine?
(5E)-3-[(Z)-but-1-enyl]-5-butylidene-1,2-dimethylpyrrolidine has a molecular weight of 207.36 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-[(Z)-but-1-enyl]-5-butylidene-1,2-dimethylpyrrolidine is sourced from PubChem (CID 138654886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).