(3Z)-3-(1-fluoro-3-methylbut-2-enylidene)-1-methyl-4-methylidenepyrrolidine

C11H16FN — CID 121388651

IUPAC(3Z)-3-(1-fluoro-3-methylbut-2-enylidene)-1-methyl-4-methylidenepyrrolidine
SMILESC=C1CN(C)C/C1=C(\F)C=C(C)C
InChIInChI=1S/C11H16FN/c1-8(2)5-11(12)10-7-13(4)6-9(10)3/h5H,3,6-7H2,1-2,4H3/b11-10+
InChIKeyHACWHGQKRRAQMR-ZHACJKMWSA-N
MW181.25 g/mol
LogP2.68
Rot. Bonds1

About (3Z)-3-(1-fluoro-3-methylbut-2-enylidene)-1-methyl-4-methylidenepyrrolidine

(3Z)-3-(1-fluoro-3-methylbut-2-enylidene)-1-methyl-4-methylidenepyrrolidine (PubChem CID 121388651) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is (3Z)-3-(1-fluoro-3-methylbut-2-enylidene)-1-methyl-4-methylidenepyrrolidine.

Molecular Properties

Compound Name(3Z)-3-(1-fluoro-3-methylbut-2-enylidene)-1-methyl-4-methylidenepyrrolidine
PubChem CID121388651
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name(3Z)-3-(1-fluoro-3-methylbut-2-enylidene)-1-methyl-4-methylidenepyrrolidine
SMILESC=C1CN(C)C/C1=C(\F)C=C(C)C
InChIInChI=1S/C11H16FN/c1-8(2)5-11(12)10-7-13(4)6-9(10)3/h5H,3,6-7H2,1-2,4H3/b11-10+
InChIKeyHACWHGQKRRAQMR-ZHACJKMWSA-N
XLogP2.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,7-Dimethylocta-2,6-dienyl)pyrrolidine
CID 72951919
(3E,4Z)-3-ethylidene-4-(1-fluoroethylidene)pyrrolidine
CID 88957760
(2E)-2-[(Z)-3-fluoroprop-1-enyl]-N,N-dimethylpenta-2,4-dien-1-amine
CID 89502908
1-Tert-butyl-3-(1-fluoroethenyl)-4-prop-1-en-2-yl-2,5-dihydropyrrole
CID 90804972
1-Ethyl-2-(4-fluoropenta-2,4-dien-2-yl)pyrrolidine
CID 123887890
1-[(4Z,6E)-4-[(E)-2-fluoroprop-1-enyl]octa-4,6-dienyl]pyrrolidine
CID 129295738
1-(2-fluorobutyl)-4-methyl-3,6-dihydro-2H-pyridine
CID 131199791
(2R)-2-[(3E,5E)-5-fluorohepta-1,3,5-trien-3-yl]-1-methylpyrrolidine
CID 134386180
1-[(3E,5Z)-4-fluoro-2-methylidenehepta-3,5-dienyl]pyrrolidine
CID 134549535
(2Z,3E)-2-ethylidene-3-fluoro-N,N-dimethylhexa-3,5-dien-1-amine
CID 138737220
1-(4-Fluoro-5-methylcyclohexa-1,5-dien-1-yl)pyrrolidine
CID 139317881
1-[(2E)-2-ethyl-5-methylhexa-2,4-dienyl]-3,3-difluoropyrrolidine
CID 139317991

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-(1-fluoro-3-methylbut-2-enylidene)-1-methyl-4-methylidenepyrrolidine?
The IUPAC name of (3Z)-3-(1-fluoro-3-methylbut-2-enylidene)-1-methyl-4-methylidenepyrrolidine (CID 121388651) is (3Z)-3-(1-fluoro-3-methylbut-2-enylidene)-1-methyl-4-methylidenepyrrolidine.
What is the SMILES notation for (3Z)-3-(1-fluoro-3-methylbut-2-enylidene)-1-methyl-4-methylidenepyrrolidine?
The canonical SMILES for (3Z)-3-(1-fluoro-3-methylbut-2-enylidene)-1-methyl-4-methylidenepyrrolidine is C=C1CN(C)C/C1=C(\F)C=C(C)C.
What is the InChIKey of (3Z)-3-(1-fluoro-3-methylbut-2-enylidene)-1-methyl-4-methylidenepyrrolidine?
The InChIKey is HACWHGQKRRAQMR-ZHACJKMWSA-N. The full InChI is InChI=1S/C11H16FN/c1-8(2)5-11(12)10-7-13(4)6-9(10)3/h5H,3,6-7H2,1-2,4H3/b11-10+.
What are the key properties of (3Z)-3-(1-fluoro-3-methylbut-2-enylidene)-1-methyl-4-methylidenepyrrolidine?
(3Z)-3-(1-fluoro-3-methylbut-2-enylidene)-1-methyl-4-methylidenepyrrolidine has a molecular weight of 181.25 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-(1-fluoro-3-methylbut-2-enylidene)-1-methyl-4-methylidenepyrrolidine is sourced from PubChem (CID 121388651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).