(2Z,3Z)-2-[4-(3-fluoro-4-propylcyclohexa-2,4-dien-1-yl)butan-2-ylidene]-3-prop-2-enylidenepyrrolidine

C20H28FN — CID 143684239

IUPAC(2Z,3Z)-2-[4-(3-fluoro-4-propylcyclohexa-2,4-dien-1-yl)butan-2-ylidene]-3-prop-2-enylidenepyrrolidine
SMILESC=C/C=C1/CCN/C1=C(/C)CCC1C=C(F)C(CCC)=CC1
InChIInChI=1S/C20H28FN/c1-4-6-17-11-10-16(14-19(17)21)9-8-15(3)20-18(7-5-2)12-13-22-20/h5,7,11,14,16,22H,2,4,6,8-10,12-13H2,1,3H3/b18-7-,20-15-
InChIKeyGZMXEVOTTDIQLC-OUIVTWOUSA-N
MW301.45 g/mol
LogP5.75
Rot. Bonds6

About (2Z,3Z)-2-[4-(3-fluoro-4-propylcyclohexa-2,4-dien-1-yl)butan-2-ylidene]-3-prop-2-enylidenepyrrolidine

(2Z,3Z)-2-[4-(3-fluoro-4-propylcyclohexa-2,4-dien-1-yl)butan-2-ylidene]-3-prop-2-enylidenepyrrolidine (PubChem CID 143684239) has the molecular formula C20H28FN and a molecular weight of 301.45 g/mol. Its IUPAC name is (2Z,3Z)-2-[4-(3-fluoro-4-propylcyclohexa-2,4-dien-1-yl)butan-2-ylidene]-3-prop-2-enylidenepyrrolidine.

Molecular Properties

Compound Name(2Z,3Z)-2-[4-(3-fluoro-4-propylcyclohexa-2,4-dien-1-yl)butan-2-ylidene]-3-prop-2-enylidenepyrrolidine
PubChem CID143684239
Molecular FormulaC20H28FN
Molecular Weight301.45 g/mol
Exact Mass301.22
IUPAC Name(2Z,3Z)-2-[4-(3-fluoro-4-propylcyclohexa-2,4-dien-1-yl)butan-2-ylidene]-3-prop-2-enylidenepyrrolidine
SMILESC=C/C=C1/CCN/C1=C(/C)CCC1C=C(F)C(CCC)=CC1
InChIInChI=1S/C20H28FN/c1-4-6-17-11-10-16(14-19(17)21)9-8-15(3)20-18(7-5-2)12-13-22-20/h5,7,11,14,16,22H,2,4,6,8-10,12-13H2,1,3H3/b18-7-,20-15-
InChIKeyGZMXEVOTTDIQLC-OUIVTWOUSA-N
XLogP5.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.45
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2Z,3Z)-2-[4-(3-fluoro-4-propylcyclohexa-2,4-dien-1-yl)butan-2-ylidene]-3-prop-2-enylidenepyrrolidine?
The IUPAC name of (2Z,3Z)-2-[4-(3-fluoro-4-propylcyclohexa-2,4-dien-1-yl)butan-2-ylidene]-3-prop-2-enylidenepyrrolidine (CID 143684239) is (2Z,3Z)-2-[4-(3-fluoro-4-propylcyclohexa-2,4-dien-1-yl)butan-2-ylidene]-3-prop-2-enylidenepyrrolidine.
What is the SMILES notation for (2Z,3Z)-2-[4-(3-fluoro-4-propylcyclohexa-2,4-dien-1-yl)butan-2-ylidene]-3-prop-2-enylidenepyrrolidine?
The canonical SMILES for (2Z,3Z)-2-[4-(3-fluoro-4-propylcyclohexa-2,4-dien-1-yl)butan-2-ylidene]-3-prop-2-enylidenepyrrolidine is C=C/C=C1/CCN/C1=C(/C)CCC1C=C(F)C(CCC)=CC1.
What is the InChIKey of (2Z,3Z)-2-[4-(3-fluoro-4-propylcyclohexa-2,4-dien-1-yl)butan-2-ylidene]-3-prop-2-enylidenepyrrolidine?
The InChIKey is GZMXEVOTTDIQLC-OUIVTWOUSA-N. The full InChI is InChI=1S/C20H28FN/c1-4-6-17-11-10-16(14-19(17)21)9-8-15(3)20-18(7-5-2)12-13-22-20/h5,7,11,14,16,22H,2,4,6,8-10,12-13H2,1,3H3/b18-7-,20-15-.
What are the key properties of (2Z,3Z)-2-[4-(3-fluoro-4-propylcyclohexa-2,4-dien-1-yl)butan-2-ylidene]-3-prop-2-enylidenepyrrolidine?
(2Z,3Z)-2-[4-(3-fluoro-4-propylcyclohexa-2,4-dien-1-yl)butan-2-ylidene]-3-prop-2-enylidenepyrrolidine has a molecular weight of 301.45 g/mol, XLogP of 5.75, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,3Z)-2-[4-(3-fluoro-4-propylcyclohexa-2,4-dien-1-yl)butan-2-ylidene]-3-prop-2-enylidenepyrrolidine is sourced from PubChem (CID 143684239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).