3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-prop-1-en-2-yl-3-(trifluoromethyl)pyrrolidine

C15H20F3N — CID 177326667

IUPAC3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-prop-1-en-2-yl-3-(trifluoromethyl)pyrrolidine
SMILESC=C/C=C(\C=C/C)C1(C(F)(F)F)CCN(C(=C)C)C1
InChIInChI=1S/C15H20F3N/c1-5-7-13(8-6-2)14(15(16,17)18)9-10-19(11-14)12(3)4/h5-8H,1,3,9-11H2,2,4H3/b8-6-,13-7+
InChIKeyMKGRCLKLUPNRLX-WNDPTYLVSA-N
MW271.33 g/mol
LogP4.46
Rot. Bonds4

About 3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-prop-1-en-2-yl-3-(trifluoromethyl)pyrrolidine

3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-prop-1-en-2-yl-3-(trifluoromethyl)pyrrolidine (PubChem CID 177326667) has the molecular formula C15H20F3N and a molecular weight of 271.33 g/mol. Its IUPAC name is 3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-prop-1-en-2-yl-3-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Name3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-prop-1-en-2-yl-3-(trifluoromethyl)pyrrolidine
PubChem CID177326667
Molecular FormulaC15H20F3N
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC Name3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-prop-1-en-2-yl-3-(trifluoromethyl)pyrrolidine
SMILESC=C/C=C(\C=C/C)C1(C(F)(F)F)CCN(C(=C)C)C1
InChIInChI=1S/C15H20F3N/c1-5-7-13(8-6-2)14(15(16,17)18)9-10-19(11-14)12(3)4/h5-8H,1,3,9-11H2,2,4H3/b8-6-,13-7+
InChIKeyMKGRCLKLUPNRLX-WNDPTYLVSA-N
XLogP4.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-prop-1-en-2-yl-3-(trifluoromethyl)pyrrolidine?
The IUPAC name of 3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-prop-1-en-2-yl-3-(trifluoromethyl)pyrrolidine (CID 177326667) is 3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-prop-1-en-2-yl-3-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for 3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-prop-1-en-2-yl-3-(trifluoromethyl)pyrrolidine?
The canonical SMILES for 3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-prop-1-en-2-yl-3-(trifluoromethyl)pyrrolidine is C=C/C=C(\C=C/C)C1(C(F)(F)F)CCN(C(=C)C)C1.
What is the InChIKey of 3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-prop-1-en-2-yl-3-(trifluoromethyl)pyrrolidine?
The InChIKey is MKGRCLKLUPNRLX-WNDPTYLVSA-N. The full InChI is InChI=1S/C15H20F3N/c1-5-7-13(8-6-2)14(15(16,17)18)9-10-19(11-14)12(3)4/h5-8H,1,3,9-11H2,2,4H3/b8-6-,13-7+.
What are the key properties of 3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-prop-1-en-2-yl-3-(trifluoromethyl)pyrrolidine?
3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-prop-1-en-2-yl-3-(trifluoromethyl)pyrrolidine has a molecular weight of 271.33 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-prop-1-en-2-yl-3-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 177326667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).