1-but-1-en-2-yl-2-(4-fluorobut-2-en-2-yl)pyrrolidine

C12H20FN — CID 123701396

IUPAC1-but-1-en-2-yl-2-(4-fluorobut-2-en-2-yl)pyrrolidine
SMILESC=C(CC)N1CCCC1C(C)=CCF
InChIInChI=1S/C12H20FN/c1-4-11(3)14-9-5-6-12(14)10(2)7-8-13/h7,12H,3-6,8-9H2,1-2H3
InChIKeyPIXLHBXQTWZCAX-UHFFFAOYSA-N
MW197.30 g/mol
LogP3.29
Rot. Bonds4

About 1-but-1-en-2-yl-2-(4-fluorobut-2-en-2-yl)pyrrolidine

1-but-1-en-2-yl-2-(4-fluorobut-2-en-2-yl)pyrrolidine (PubChem CID 123701396) has the molecular formula C12H20FN and a molecular weight of 197.30 g/mol. Its IUPAC name is 1-but-1-en-2-yl-2-(4-fluorobut-2-en-2-yl)pyrrolidine.

Molecular Properties

Compound Name1-but-1-en-2-yl-2-(4-fluorobut-2-en-2-yl)pyrrolidine
PubChem CID123701396
Molecular FormulaC12H20FN
Molecular Weight197.30 g/mol
Exact Mass197.16
IUPAC Name1-but-1-en-2-yl-2-(4-fluorobut-2-en-2-yl)pyrrolidine
SMILESC=C(CC)N1CCCC1C(C)=CCF
InChIInChI=1S/C12H20FN/c1-4-11(3)14-9-5-6-12(14)10(2)7-8-13/h7,12H,3-6,8-9H2,1-2H3
InChIKeyPIXLHBXQTWZCAX-UHFFFAOYSA-N
XLogP3.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Methyl-1-pyrrolidinyl)cyclohexene
CID 4674520
3-ethyl-1-[[(4R)-4-fluorocyclohexen-1-yl]methyl]-2-methylpyrrolidine
CID 71132743
2-(5-Fluoro-4-methylcyclohexa-1,3-dien-1-yl)-1-methylpyrrolidine
CID 123245342
1-Buta-1,3-dien-2-yl-2-(4-fluoropenta-2,4-dien-2-yl)pyrrolidine
CID 123874356
1-Ethyl-2-(4-fluoropenta-2,4-dien-2-yl)pyrrolidine
CID 123887890
(2R)-2-[(3E,5E)-5-fluorohepta-1,3,5-trien-3-yl]-1-methylpyrrolidine
CID 134386180
(2E,4Z)-4-ethyl-N-(1-fluorohexan-3-yl)-N-methylhexa-2,4-dien-3-amine
CID 134449399
4-[(2S)-1-(2-fluoroethyl)pyrrolidin-2-yl]-1-methyl-3,6-dihydro-2H-pyridine
CID 138552900
1-(4-Fluoro-5-methylcyclohexa-1,5-dien-1-yl)pyrrolidine
CID 139317881
(2S)-1-[(E)-2-ethylbut-2-enyl]-2-(fluoromethyl)pyrrolidine
CID 144607829
(2R)-2-[(3E)-4-fluoropenta-1,3-dien-2-yl]-1-methylpyrrolidine
CID 146476929
1-methyl-4-[(2S)-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]-3,6-dihydro-2H-pyridine
CID 154946033

Frequently Asked Questions

What is the IUPAC name of 1-but-1-en-2-yl-2-(4-fluorobut-2-en-2-yl)pyrrolidine?
The IUPAC name of 1-but-1-en-2-yl-2-(4-fluorobut-2-en-2-yl)pyrrolidine (CID 123701396) is 1-but-1-en-2-yl-2-(4-fluorobut-2-en-2-yl)pyrrolidine.
What is the SMILES notation for 1-but-1-en-2-yl-2-(4-fluorobut-2-en-2-yl)pyrrolidine?
The canonical SMILES for 1-but-1-en-2-yl-2-(4-fluorobut-2-en-2-yl)pyrrolidine is C=C(CC)N1CCCC1C(C)=CCF.
What is the InChIKey of 1-but-1-en-2-yl-2-(4-fluorobut-2-en-2-yl)pyrrolidine?
The InChIKey is PIXLHBXQTWZCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN/c1-4-11(3)14-9-5-6-12(14)10(2)7-8-13/h7,12H,3-6,8-9H2,1-2H3.
What are the key properties of 1-but-1-en-2-yl-2-(4-fluorobut-2-en-2-yl)pyrrolidine?
1-but-1-en-2-yl-2-(4-fluorobut-2-en-2-yl)pyrrolidine has a molecular weight of 197.30 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-en-2-yl-2-(4-fluorobut-2-en-2-yl)pyrrolidine is sourced from PubChem (CID 123701396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).