(4E)-4-(fluoromethylidene)-1-methyl-2-propylpyrrolidine

C9H16FN — CID 170075342

IUPAC(4E)-4-(fluoromethylidene)-1-methyl-2-propylpyrrolidine
SMILESCCCC1C/C(=C\F)CN1C
InChIInChI=1S/C9H16FN/c1-3-4-9-5-8(6-10)7-11(9)2/h6,9H,3-5,7H2,1-2H3/b8-6+
InChIKeyQUVDOIJYTUMNSB-SOFGYWHQSA-N
MW157.23 g/mol
LogP2.34
Rot. Bonds2

About (4E)-4-(fluoromethylidene)-1-methyl-2-propylpyrrolidine

(4E)-4-(fluoromethylidene)-1-methyl-2-propylpyrrolidine (PubChem CID 170075342) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is (4E)-4-(fluoromethylidene)-1-methyl-2-propylpyrrolidine.

Molecular Properties

Compound Name(4E)-4-(fluoromethylidene)-1-methyl-2-propylpyrrolidine
PubChem CID170075342
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name(4E)-4-(fluoromethylidene)-1-methyl-2-propylpyrrolidine
SMILESCCCC1C/C(=C\F)CN1C
InChIInChI=1S/C9H16FN/c1-3-4-9-5-8(6-10)7-11(9)2/h6,9H,3-5,7H2,1-2H3/b8-6+
InChIKeyQUVDOIJYTUMNSB-SOFGYWHQSA-N
XLogP2.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Ethyl-2-(4-fluoropenta-2,4-dien-2-yl)pyrrolidine
CID 123887890
(4Z)-2-ethenyl-4-(fluoromethylidene)-1-methylpyrrolidine
CID 126637121
4-(Difluoromethylidene)-2-ethyl-1-propan-2-ylpyrrolidine
CID 130250105
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
(2R)-2-[(3E)-4-fluoropenta-1,3-dien-2-yl]-1-methylpyrrolidine
CID 146476929
2-[2-(Fluoromethyl)prop-2-enyl]-1-(5-methylhex-1-en-2-yl)pyrrolidine
CID 155418263
(4E)-4-(fluoromethylidene)-1-methyl-2-(2-methylpropyl)pyrrolidine
CID 162730758
(4Z)-4-(fluoromethylidene)-1-methyl-2-propan-2-ylpyrrolidine
CID 163514840
(4E)-4-(fluoromethylidene)-1-methyl-2-propan-2-ylpyrrolidine
CID 164062077
4-fluoro-1-methyl-2-[(E)-4-methylpent-2-en-2-yl]pyrrolidine
CID 164922213
(2R,4S)-4-fluoro-1-methyl-2-prop-1-en-2-ylpyrrolidine
CID 166928477

Frequently Asked Questions

What is the IUPAC name of (4E)-4-(fluoromethylidene)-1-methyl-2-propylpyrrolidine?
The IUPAC name of (4E)-4-(fluoromethylidene)-1-methyl-2-propylpyrrolidine (CID 170075342) is (4E)-4-(fluoromethylidene)-1-methyl-2-propylpyrrolidine.
What is the SMILES notation for (4E)-4-(fluoromethylidene)-1-methyl-2-propylpyrrolidine?
The canonical SMILES for (4E)-4-(fluoromethylidene)-1-methyl-2-propylpyrrolidine is CCCC1C/C(=C\F)CN1C.
What is the InChIKey of (4E)-4-(fluoromethylidene)-1-methyl-2-propylpyrrolidine?
The InChIKey is QUVDOIJYTUMNSB-SOFGYWHQSA-N. The full InChI is InChI=1S/C9H16FN/c1-3-4-9-5-8(6-10)7-11(9)2/h6,9H,3-5,7H2,1-2H3/b8-6+.
What are the key properties of (4E)-4-(fluoromethylidene)-1-methyl-2-propylpyrrolidine?
(4E)-4-(fluoromethylidene)-1-methyl-2-propylpyrrolidine has a molecular weight of 157.23 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-(fluoromethylidene)-1-methyl-2-propylpyrrolidine is sourced from PubChem (CID 170075342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).