(E)-5-(5-amino-5-fluoropiperidin-2-yl)pent-3-en-2-one

C10H17FN2O — CID 177231499

IUPAC(E)-5-(5-amino-5-fluoropiperidin-2-yl)pent-3-en-2-one
SMILESCC(=O)/C=C/CC1CCC(N)(F)CN1
InChIInChI=1S/C10H17FN2O/c1-8(14)3-2-4-9-5-6-10(11,12)7-13-9/h2-3,9,13H,4-7,12H2,1H3/b3-2+
InChIKeyFBCHWSFMJSAFLA-NSCUHMNNSA-N
MW200.26 g/mol
LogP0.90
Rot. Bonds3

About (E)-5-(5-amino-5-fluoropiperidin-2-yl)pent-3-en-2-one

(E)-5-(5-amino-5-fluoropiperidin-2-yl)pent-3-en-2-one (PubChem CID 177231499) has the molecular formula C10H17FN2O and a molecular weight of 200.26 g/mol. Its IUPAC name is (E)-5-(5-amino-5-fluoropiperidin-2-yl)pent-3-en-2-one.

Molecular Properties

Compound Name(E)-5-(5-amino-5-fluoropiperidin-2-yl)pent-3-en-2-one
PubChem CID177231499
Molecular FormulaC10H17FN2O
Molecular Weight200.26 g/mol
Exact Mass200.13
IUPAC Name(E)-5-(5-amino-5-fluoropiperidin-2-yl)pent-3-en-2-one
SMILESCC(=O)/C=C/CC1CCC(N)(F)CN1
InChIInChI=1S/C10H17FN2O/c1-8(14)3-2-4-9-5-6-10(11,12)7-13-9/h2-3,9,13H,4-7,12H2,1H3/b3-2+
InChIKeyFBCHWSFMJSAFLA-NSCUHMNNSA-N
XLogP0.90
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-5-(5-amino-5-fluoropiperidin-2-yl)pent-3-en-2-one?
The IUPAC name of (E)-5-(5-amino-5-fluoropiperidin-2-yl)pent-3-en-2-one (CID 177231499) is (E)-5-(5-amino-5-fluoropiperidin-2-yl)pent-3-en-2-one.
What is the SMILES notation for (E)-5-(5-amino-5-fluoropiperidin-2-yl)pent-3-en-2-one?
The canonical SMILES for (E)-5-(5-amino-5-fluoropiperidin-2-yl)pent-3-en-2-one is CC(=O)/C=C/CC1CCC(N)(F)CN1.
What is the InChIKey of (E)-5-(5-amino-5-fluoropiperidin-2-yl)pent-3-en-2-one?
The InChIKey is FBCHWSFMJSAFLA-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H17FN2O/c1-8(14)3-2-4-9-5-6-10(11,12)7-13-9/h2-3,9,13H,4-7,12H2,1H3/b3-2+.
What are the key properties of (E)-5-(5-amino-5-fluoropiperidin-2-yl)pent-3-en-2-one?
(E)-5-(5-amino-5-fluoropiperidin-2-yl)pent-3-en-2-one has a molecular weight of 200.26 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-(5-amino-5-fluoropiperidin-2-yl)pent-3-en-2-one is sourced from PubChem (CID 177231499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).