(2R)-2-[(3E)-4-fluoropenta-1,3-dien-2-yl]-1-methylpyrrolidine

C10H16FN — CID 146476929

IUPAC(2R)-2-[(3E)-4-fluoropenta-1,3-dien-2-yl]-1-methylpyrrolidine
SMILESC=C(/C=C(\C)F)[C@H]1CCCN1C
InChIInChI=1S/C10H16FN/c1-8(7-9(2)11)10-5-4-6-12(10)3/h7,10H,1,4-6H2,2-3H3/b9-7+/t10-/m1/s1
InChIKeyPHOYPBZDFIAABV-TTZKWOQHSA-N
MW169.24 g/mol
LogP2.51
Rot. Bonds2

About (2R)-2-[(3E)-4-fluoropenta-1,3-dien-2-yl]-1-methylpyrrolidine

(2R)-2-[(3E)-4-fluoropenta-1,3-dien-2-yl]-1-methylpyrrolidine (PubChem CID 146476929) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is (2R)-2-[(3E)-4-fluoropenta-1,3-dien-2-yl]-1-methylpyrrolidine.

Molecular Properties

Compound Name(2R)-2-[(3E)-4-fluoropenta-1,3-dien-2-yl]-1-methylpyrrolidine
PubChem CID146476929
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name(2R)-2-[(3E)-4-fluoropenta-1,3-dien-2-yl]-1-methylpyrrolidine
SMILESC=C(/C=C(\C)F)[C@H]1CCCN1C
InChIInChI=1S/C10H16FN/c1-8(7-9(2)11)10-5-4-6-12(10)3/h7,10H,1,4-6H2,2-3H3/b9-7+/t10-/m1/s1
InChIKeyPHOYPBZDFIAABV-TTZKWOQHSA-N
XLogP2.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3E)-4-fluoropenta-1,3-dien-2-yl]-1-methylpyrrolidine?
The IUPAC name of (2R)-2-[(3E)-4-fluoropenta-1,3-dien-2-yl]-1-methylpyrrolidine (CID 146476929) is (2R)-2-[(3E)-4-fluoropenta-1,3-dien-2-yl]-1-methylpyrrolidine.
What is the SMILES notation for (2R)-2-[(3E)-4-fluoropenta-1,3-dien-2-yl]-1-methylpyrrolidine?
The canonical SMILES for (2R)-2-[(3E)-4-fluoropenta-1,3-dien-2-yl]-1-methylpyrrolidine is C=C(/C=C(\C)F)[C@H]1CCCN1C.
What is the InChIKey of (2R)-2-[(3E)-4-fluoropenta-1,3-dien-2-yl]-1-methylpyrrolidine?
The InChIKey is PHOYPBZDFIAABV-TTZKWOQHSA-N. The full InChI is InChI=1S/C10H16FN/c1-8(7-9(2)11)10-5-4-6-12(10)3/h7,10H,1,4-6H2,2-3H3/b9-7+/t10-/m1/s1.
What are the key properties of (2R)-2-[(3E)-4-fluoropenta-1,3-dien-2-yl]-1-methylpyrrolidine?
(2R)-2-[(3E)-4-fluoropenta-1,3-dien-2-yl]-1-methylpyrrolidine has a molecular weight of 169.24 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3E)-4-fluoropenta-1,3-dien-2-yl]-1-methylpyrrolidine is sourced from PubChem (CID 146476929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).