(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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(Tert-butyl)-1-cyclohexen-1-YL]pyrrolidine
CID 107232
1-(2-Methyl-1-pyrrolidinyl)cyclohexene
CID 4674520
Pyrrolidine, 1-(6-methyl-1-cyclohexen-1-yl)-
CID 11030177
(2R)-1-[(1E,3S)-3,6-dimethylhepta-1,5-dienyl]-4,4-difluoro-2-methylpyrrolidine
CID 164672084
5-Methyl-1-pyrrolidino-1-cyclopentene
CID 15662771
N-methyl-2azanorbornene
CID 67863163
1-Ethyltetrahydroindole
CID 129798269
3-But-2-en-2-yl-4-fluoro-1-propan-2-ylpyrrolidine
CID 123887053
4-fluoro-1-methyl-2-[(E)-3-methylpent-1-enyl]pyrrolidine
CID 164922218
5-Cyclohexa-2,4-dien-1-yl-3-fluoro-1-methyl-2-methylidenepyrrolidine
CID 175611923
1-(6-Prop-2-enylcyclohexen-1-yl)pyrrolidine
CID 11600830
(2R,5R)-1-(cyclohexen-1-yl)-2,5-dimethylpyrrolidine
CID 13541757

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).