2-[(E)-4-fluoropent-3-en-2-yl]-1-methylpyrrolidine

C10H18FN — CID 146476928

IUPAC2-[(E)-4-fluoropent-3-en-2-yl]-1-methylpyrrolidine
SMILESC/C(F)=C\C(C)C1CCCN1C
InChIInChI=1S/C10H18FN/c1-8(7-9(2)11)10-5-4-6-12(10)3/h7-8,10H,4-6H2,1-3H3/b9-7+
InChIKeyRUMFCINHACBDTB-VQHVLOKHSA-N
MW171.26 g/mol
LogP2.59
Rot. Bonds2

About 2-[(E)-4-fluoropent-3-en-2-yl]-1-methylpyrrolidine

2-[(E)-4-fluoropent-3-en-2-yl]-1-methylpyrrolidine (PubChem CID 146476928) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is 2-[(E)-4-fluoropent-3-en-2-yl]-1-methylpyrrolidine.

Molecular Properties

Compound Name2-[(E)-4-fluoropent-3-en-2-yl]-1-methylpyrrolidine
PubChem CID146476928
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name2-[(E)-4-fluoropent-3-en-2-yl]-1-methylpyrrolidine
SMILESC/C(F)=C\C(C)C1CCCN1C
InChIInChI=1S/C10H18FN/c1-8(7-9(2)11)10-5-4-6-12(10)3/h7-8,10H,4-6H2,1-3H3/b9-7+
InChIKeyRUMFCINHACBDTB-VQHVLOKHSA-N
XLogP2.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-4-fluoropent-3-en-2-yl]-1-methylpyrrolidine?
The IUPAC name of 2-[(E)-4-fluoropent-3-en-2-yl]-1-methylpyrrolidine (CID 146476928) is 2-[(E)-4-fluoropent-3-en-2-yl]-1-methylpyrrolidine.
What is the SMILES notation for 2-[(E)-4-fluoropent-3-en-2-yl]-1-methylpyrrolidine?
The canonical SMILES for 2-[(E)-4-fluoropent-3-en-2-yl]-1-methylpyrrolidine is C/C(F)=C\C(C)C1CCCN1C.
What is the InChIKey of 2-[(E)-4-fluoropent-3-en-2-yl]-1-methylpyrrolidine?
The InChIKey is RUMFCINHACBDTB-VQHVLOKHSA-N. The full InChI is InChI=1S/C10H18FN/c1-8(7-9(2)11)10-5-4-6-12(10)3/h7-8,10H,4-6H2,1-3H3/b9-7+.
What are the key properties of 2-[(E)-4-fluoropent-3-en-2-yl]-1-methylpyrrolidine?
2-[(E)-4-fluoropent-3-en-2-yl]-1-methylpyrrolidine has a molecular weight of 171.26 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-4-fluoropent-3-en-2-yl]-1-methylpyrrolidine is sourced from PubChem (CID 146476928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).