4-[(3-fluoropyrrolidin-1-yl)methyl]cyclopent-2-en-1-amine

C10H17FN2 — CID 164657917

IUPAC4-[(3-fluoropyrrolidin-1-yl)methyl]cyclopent-2-en-1-amine
SMILESNC1C=CC(CN2CCC(F)C2)C1
InChIInChI=1S/C10H17FN2/c11-9-3-4-13(7-9)6-8-1-2-10(12)5-8/h1-2,8-10H,3-7,12H2
InChIKeyINAYGDGIWTUVCS-UHFFFAOYSA-N
MW184.26 g/mol
LogP0.93
Rot. Bonds2

About 4-[(3-fluoropyrrolidin-1-yl)methyl]cyclopent-2-en-1-amine

4-[(3-fluoropyrrolidin-1-yl)methyl]cyclopent-2-en-1-amine (PubChem CID 164657917) has the molecular formula C10H17FN2 and a molecular weight of 184.26 g/mol. Its IUPAC name is 4-[(3-fluoropyrrolidin-1-yl)methyl]cyclopent-2-en-1-amine.

Molecular Properties

Compound Name4-[(3-fluoropyrrolidin-1-yl)methyl]cyclopent-2-en-1-amine
PubChem CID164657917
Molecular FormulaC10H17FN2
Molecular Weight184.26 g/mol
Exact Mass184.14
IUPAC Name4-[(3-fluoropyrrolidin-1-yl)methyl]cyclopent-2-en-1-amine
SMILESNC1C=CC(CN2CCC(F)C2)C1
InChIInChI=1S/C10H17FN2/c11-9-3-4-13(7-9)6-8-1-2-10(12)5-8/h1-2,8-10H,3-7,12H2
InChIKeyINAYGDGIWTUVCS-UHFFFAOYSA-N
XLogP0.93
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 50.93
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-[(3-fluoropyrrolidin-1-yl)methyl]cyclopent-2-en-1-amine?
The IUPAC name of 4-[(3-fluoropyrrolidin-1-yl)methyl]cyclopent-2-en-1-amine (CID 164657917) is 4-[(3-fluoropyrrolidin-1-yl)methyl]cyclopent-2-en-1-amine.
What is the SMILES notation for 4-[(3-fluoropyrrolidin-1-yl)methyl]cyclopent-2-en-1-amine?
The canonical SMILES for 4-[(3-fluoropyrrolidin-1-yl)methyl]cyclopent-2-en-1-amine is NC1C=CC(CN2CCC(F)C2)C1.
What is the InChIKey of 4-[(3-fluoropyrrolidin-1-yl)methyl]cyclopent-2-en-1-amine?
The InChIKey is INAYGDGIWTUVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2/c11-9-3-4-13(7-9)6-8-1-2-10(12)5-8/h1-2,8-10H,3-7,12H2.
What are the key properties of 4-[(3-fluoropyrrolidin-1-yl)methyl]cyclopent-2-en-1-amine?
4-[(3-fluoropyrrolidin-1-yl)methyl]cyclopent-2-en-1-amine has a molecular weight of 184.26 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluoropyrrolidin-1-yl)methyl]cyclopent-2-en-1-amine is sourced from PubChem (CID 164657917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).