(2R)-2-fluoro-2-[(1-methylcyclobutyl)methyl]pent-4-enamide

C11H18FNO — CID 177059800

IUPAC(2R)-2-fluoro-2-[(1-methylcyclobutyl)methyl]pent-4-enamide
SMILESC=CC[C@@](F)(CC1(C)CCC1)C(N)=O
InChIInChI=1S/C11H18FNO/c1-3-5-11(12,9(13)14)8-10(2)6-4-7-10/h3H,1,4-8H2,2H3,(H2,13,14)/t11-/m1/s1
InChIKeyLYDKNEHYZRHKAO-LLVKDONJSA-N
MW199.27 g/mol
LogP2.34
Rot. Bonds5

About (2R)-2-fluoro-2-[(1-methylcyclobutyl)methyl]pent-4-enamide

(2R)-2-fluoro-2-[(1-methylcyclobutyl)methyl]pent-4-enamide (PubChem CID 177059800) has the molecular formula C11H18FNO and a molecular weight of 199.27 g/mol. Its IUPAC name is (2R)-2-fluoro-2-[(1-methylcyclobutyl)methyl]pent-4-enamide.

Molecular Properties

Compound Name(2R)-2-fluoro-2-[(1-methylcyclobutyl)methyl]pent-4-enamide
PubChem CID177059800
Molecular FormulaC11H18FNO
Molecular Weight199.27 g/mol
Exact Mass199.14
IUPAC Name(2R)-2-fluoro-2-[(1-methylcyclobutyl)methyl]pent-4-enamide
SMILESC=CC[C@@](F)(CC1(C)CCC1)C(N)=O
InChIInChI=1S/C11H18FNO/c1-3-5-11(12,9(13)14)8-10(2)6-4-7-10/h3H,1,4-8H2,2H3,(H2,13,14)/t11-/m1/s1
InChIKeyLYDKNEHYZRHKAO-LLVKDONJSA-N
XLogP2.34
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (2R)-2-fluoro-2-[(1-methylcyclobutyl)methyl]pent-4-enamide?
The IUPAC name of (2R)-2-fluoro-2-[(1-methylcyclobutyl)methyl]pent-4-enamide (CID 177059800) is (2R)-2-fluoro-2-[(1-methylcyclobutyl)methyl]pent-4-enamide.
What is the SMILES notation for (2R)-2-fluoro-2-[(1-methylcyclobutyl)methyl]pent-4-enamide?
The canonical SMILES for (2R)-2-fluoro-2-[(1-methylcyclobutyl)methyl]pent-4-enamide is C=CC[C@@](F)(CC1(C)CCC1)C(N)=O.
What is the InChIKey of (2R)-2-fluoro-2-[(1-methylcyclobutyl)methyl]pent-4-enamide?
The InChIKey is LYDKNEHYZRHKAO-LLVKDONJSA-N. The full InChI is InChI=1S/C11H18FNO/c1-3-5-11(12,9(13)14)8-10(2)6-4-7-10/h3H,1,4-8H2,2H3,(H2,13,14)/t11-/m1/s1.
What are the key properties of (2R)-2-fluoro-2-[(1-methylcyclobutyl)methyl]pent-4-enamide?
(2R)-2-fluoro-2-[(1-methylcyclobutyl)methyl]pent-4-enamide has a molecular weight of 199.27 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-fluoro-2-[(1-methylcyclobutyl)methyl]pent-4-enamide is sourced from PubChem (CID 177059800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).