4-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopent-2-en-1-amine

C11H17FN2 — CID 130863537

IUPAC4-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopent-2-en-1-amine
SMILESNC1C=CC(CN2CCC=C(F)C2)C1
InChIInChI=1S/C11H17FN2/c12-10-2-1-5-14(8-10)7-9-3-4-11(13)6-9/h2-4,9,11H,1,5-8,13H2
InChIKeyDKOVZIFUISFYBP-UHFFFAOYSA-N
MW196.27 g/mol
LogP1.45
Rot. Bonds2

About 4-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopent-2-en-1-amine

4-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopent-2-en-1-amine (PubChem CID 130863537) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is 4-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopent-2-en-1-amine.

Molecular Properties

Compound Name4-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopent-2-en-1-amine
PubChem CID130863537
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC Name4-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopent-2-en-1-amine
SMILESNC1C=CC(CN2CCC=C(F)C2)C1
InChIInChI=1S/C11H17FN2/c12-10-2-1-5-14(8-10)7-9-3-4-11(13)6-9/h2-4,9,11H,1,5-8,13H2
InChIKeyDKOVZIFUISFYBP-UHFFFAOYSA-N
XLogP1.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopent-2-en-1-amine?
The IUPAC name of 4-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopent-2-en-1-amine (CID 130863537) is 4-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopent-2-en-1-amine.
What is the SMILES notation for 4-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopent-2-en-1-amine?
The canonical SMILES for 4-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopent-2-en-1-amine is NC1C=CC(CN2CCC=C(F)C2)C1.
What is the InChIKey of 4-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopent-2-en-1-amine?
The InChIKey is DKOVZIFUISFYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c12-10-2-1-5-14(8-10)7-9-3-4-11(13)6-9/h2-4,9,11H,1,5-8,13H2.
What are the key properties of 4-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopent-2-en-1-amine?
4-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopent-2-en-1-amine has a molecular weight of 196.27 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopent-2-en-1-amine is sourced from PubChem (CID 130863537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).