(4Z)-4-[(2-fluoro-2-methylcyclopropyl)methylidene]-1,2-di(propan-2-yl)pyrrolidine

C15H26FN — CID 175612307

IUPAC(4Z)-4-[(2-fluoro-2-methylcyclopropyl)methylidene]-1,2-di(propan-2-yl)pyrrolidine
SMILESCC(C)C1C/C(=C/C2CC2(C)F)CN1C(C)C
InChIInChI=1S/C15H26FN/c1-10(2)14-7-12(9-17(14)11(3)4)6-13-8-15(13,5)16/h6,10-11,13-14H,7-9H2,1-5H3/b12-6-
InChIKeyBDESITNEGMVZTN-SDQBBNPISA-N
MW239.38 g/mol
LogP3.80
Rot. Bonds3

About (4Z)-4-[(2-fluoro-2-methylcyclopropyl)methylidene]-1,2-di(propan-2-yl)pyrrolidine

(4Z)-4-[(2-fluoro-2-methylcyclopropyl)methylidene]-1,2-di(propan-2-yl)pyrrolidine (PubChem CID 175612307) has the molecular formula C15H26FN and a molecular weight of 239.38 g/mol. Its IUPAC name is (4Z)-4-[(2-fluoro-2-methylcyclopropyl)methylidene]-1,2-di(propan-2-yl)pyrrolidine.

Molecular Properties

Compound Name(4Z)-4-[(2-fluoro-2-methylcyclopropyl)methylidene]-1,2-di(propan-2-yl)pyrrolidine
PubChem CID175612307
Molecular FormulaC15H26FN
Molecular Weight239.38 g/mol
Exact Mass239.20
IUPAC Name(4Z)-4-[(2-fluoro-2-methylcyclopropyl)methylidene]-1,2-di(propan-2-yl)pyrrolidine
SMILESCC(C)C1C/C(=C/C2CC2(C)F)CN1C(C)C
InChIInChI=1S/C15H26FN/c1-10(2)14-7-12(9-17(14)11(3)4)6-13-8-15(13,5)16/h6,10-11,13-14H,7-9H2,1-5H3/b12-6-
InChIKeyBDESITNEGMVZTN-SDQBBNPISA-N
XLogP3.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.38
LogP ≤ 53.80
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-(2,5-Difluorocyclohex-2-en-1-yl)-3-methylpyrrolidine
CID 69626988
3-ethyl-1-[[(4R)-4-fluorocyclohexen-1-yl]methyl]-2-methylpyrrolidine
CID 71132743
3-(Fluoromethyl)-2-methyl-2-azabicyclo[2.2.1]hept-5-ene
CID 118940548
1-But-1-en-2-yl-2-(4-fluorobut-2-en-2-yl)pyrrolidine
CID 123701396
3-But-2-en-2-yl-4-fluoro-1-propan-2-ylpyrrolidine
CID 123887053
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
4-[(2S)-1-(2-fluoroethyl)pyrrolidin-2-yl]-1-methyl-3,6-dihydro-2H-pyridine
CID 138552900
(2S)-1-[(E)-2-ethylbut-2-enyl]-2-(fluoromethyl)pyrrolidine
CID 144607829
2-[(E)-4-fluoropent-3-en-2-yl]-1-methylpyrrolidine
CID 146476928
(2R)-2-[(3E)-4-fluoropenta-1,3-dien-2-yl]-1-methylpyrrolidine
CID 146476929
(4Z)-4-(fluoromethylidene)-1-methyl-2-propan-2-ylpyrrolidine
CID 163514840

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(2-fluoro-2-methylcyclopropyl)methylidene]-1,2-di(propan-2-yl)pyrrolidine?
The IUPAC name of (4Z)-4-[(2-fluoro-2-methylcyclopropyl)methylidene]-1,2-di(propan-2-yl)pyrrolidine (CID 175612307) is (4Z)-4-[(2-fluoro-2-methylcyclopropyl)methylidene]-1,2-di(propan-2-yl)pyrrolidine.
What is the SMILES notation for (4Z)-4-[(2-fluoro-2-methylcyclopropyl)methylidene]-1,2-di(propan-2-yl)pyrrolidine?
The canonical SMILES for (4Z)-4-[(2-fluoro-2-methylcyclopropyl)methylidene]-1,2-di(propan-2-yl)pyrrolidine is CC(C)C1C/C(=C/C2CC2(C)F)CN1C(C)C.
What is the InChIKey of (4Z)-4-[(2-fluoro-2-methylcyclopropyl)methylidene]-1,2-di(propan-2-yl)pyrrolidine?
The InChIKey is BDESITNEGMVZTN-SDQBBNPISA-N. The full InChI is InChI=1S/C15H26FN/c1-10(2)14-7-12(9-17(14)11(3)4)6-13-8-15(13,5)16/h6,10-11,13-14H,7-9H2,1-5H3/b12-6-.
What are the key properties of (4Z)-4-[(2-fluoro-2-methylcyclopropyl)methylidene]-1,2-di(propan-2-yl)pyrrolidine?
(4Z)-4-[(2-fluoro-2-methylcyclopropyl)methylidene]-1,2-di(propan-2-yl)pyrrolidine has a molecular weight of 239.38 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(2-fluoro-2-methylcyclopropyl)methylidene]-1,2-di(propan-2-yl)pyrrolidine is sourced from PubChem (CID 175612307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).