(2R,3E,5E)-5-ethylidene-3-[(Z)-hept-2-enylidene]-1,2-dimethylpyrrolidine

C15H25N — CID 138725681

IUPAC(2R,3E,5E)-5-ethylidene-3-[(Z)-hept-2-enylidene]-1,2-dimethylpyrrolidine
SMILESC/C=C1\C/C(=C\C=C/CCCC)[C@@H](C)N1C
InChIInChI=1S/C15H25N/c1-5-7-8-9-10-11-14-12-15(6-2)16(4)13(14)3/h6,9-11,13H,5,7-8,12H2,1-4H3/b10-9-,14-11+,15-6+/t13-/m1/s1
InChIKeyIBKZIMCEKPXBIP-UOWUCGKMSA-N
MW219.37 g/mol
LogP4.29
Rot. Bonds4

About (2R,3E,5E)-5-ethylidene-3-[(Z)-hept-2-enylidene]-1,2-dimethylpyrrolidine

(2R,3E,5E)-5-ethylidene-3-[(Z)-hept-2-enylidene]-1,2-dimethylpyrrolidine (PubChem CID 138725681) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is (2R,3E,5E)-5-ethylidene-3-[(Z)-hept-2-enylidene]-1,2-dimethylpyrrolidine.

Molecular Properties

Compound Name(2R,3E,5E)-5-ethylidene-3-[(Z)-hept-2-enylidene]-1,2-dimethylpyrrolidine
PubChem CID138725681
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name(2R,3E,5E)-5-ethylidene-3-[(Z)-hept-2-enylidene]-1,2-dimethylpyrrolidine
SMILESC/C=C1\C/C(=C\C=C/CCCC)[C@@H](C)N1C
InChIInChI=1S/C15H25N/c1-5-7-8-9-10-11-14-12-15(6-2)16(4)13(14)3/h6,9-11,13H,5,7-8,12H2,1-4H3/b10-9-,14-11+,15-6+/t13-/m1/s1
InChIKeyIBKZIMCEKPXBIP-UOWUCGKMSA-N
XLogP4.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3E,5E)-5-ethylidene-3-[(Z)-hept-2-enylidene]-1,2-dimethylpyrrolidine?
The IUPAC name of (2R,3E,5E)-5-ethylidene-3-[(Z)-hept-2-enylidene]-1,2-dimethylpyrrolidine (CID 138725681) is (2R,3E,5E)-5-ethylidene-3-[(Z)-hept-2-enylidene]-1,2-dimethylpyrrolidine.
What is the SMILES notation for (2R,3E,5E)-5-ethylidene-3-[(Z)-hept-2-enylidene]-1,2-dimethylpyrrolidine?
The canonical SMILES for (2R,3E,5E)-5-ethylidene-3-[(Z)-hept-2-enylidene]-1,2-dimethylpyrrolidine is C/C=C1\C/C(=C\C=C/CCCC)[C@@H](C)N1C.
What is the InChIKey of (2R,3E,5E)-5-ethylidene-3-[(Z)-hept-2-enylidene]-1,2-dimethylpyrrolidine?
The InChIKey is IBKZIMCEKPXBIP-UOWUCGKMSA-N. The full InChI is InChI=1S/C15H25N/c1-5-7-8-9-10-11-14-12-15(6-2)16(4)13(14)3/h6,9-11,13H,5,7-8,12H2,1-4H3/b10-9-,14-11+,15-6+/t13-/m1/s1.
What are the key properties of (2R,3E,5E)-5-ethylidene-3-[(Z)-hept-2-enylidene]-1,2-dimethylpyrrolidine?
(2R,3E,5E)-5-ethylidene-3-[(Z)-hept-2-enylidene]-1,2-dimethylpyrrolidine has a molecular weight of 219.37 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3E,5E)-5-ethylidene-3-[(Z)-hept-2-enylidene]-1,2-dimethylpyrrolidine is sourced from PubChem (CID 138725681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).