N-(3-fluorocyclopentyl)-3-methylbut-2-enamide

C10H16FNO — CID 126992672

IUPACN-(3-fluorocyclopentyl)-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)NC1CCC(F)C1
InChIInChI=1S/C10H16FNO/c1-7(2)5-10(13)12-9-4-3-8(11)6-9/h5,8-9H,3-4,6H2,1-2H3,(H,12,13)
InChIKeyVNYRAGVKLMCDNU-UHFFFAOYSA-N
MW185.24 g/mol
LogP1.96
Rot. Bonds2

About N-(3-fluorocyclopentyl)-3-methylbut-2-enamide

N-(3-fluorocyclopentyl)-3-methylbut-2-enamide (PubChem CID 126992672) has the molecular formula C10H16FNO and a molecular weight of 185.24 g/mol. Its IUPAC name is N-(3-fluorocyclopentyl)-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-(3-fluorocyclopentyl)-3-methylbut-2-enamide
PubChem CID126992672
Molecular FormulaC10H16FNO
Molecular Weight185.24 g/mol
Exact Mass185.12
IUPAC NameN-(3-fluorocyclopentyl)-3-methylbut-2-enamide
SMILESCC(C)=CC(=O)NC1CCC(F)C1
InChIInChI=1S/C10H16FNO/c1-7(2)5-10(13)12-9-4-3-8(11)6-9/h5,8-9H,3-4,6H2,1-2H3,(H,12,13)
InChIKeyVNYRAGVKLMCDNU-UHFFFAOYSA-N
XLogP1.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.24
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorocyclopentyl)-3-methylbut-2-enamide?
The IUPAC name of N-(3-fluorocyclopentyl)-3-methylbut-2-enamide (CID 126992672) is N-(3-fluorocyclopentyl)-3-methylbut-2-enamide.
What is the SMILES notation for N-(3-fluorocyclopentyl)-3-methylbut-2-enamide?
The canonical SMILES for N-(3-fluorocyclopentyl)-3-methylbut-2-enamide is CC(C)=CC(=O)NC1CCC(F)C1.
What is the InChIKey of N-(3-fluorocyclopentyl)-3-methylbut-2-enamide?
The InChIKey is VNYRAGVKLMCDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO/c1-7(2)5-10(13)12-9-4-3-8(11)6-9/h5,8-9H,3-4,6H2,1-2H3,(H,12,13).
What are the key properties of N-(3-fluorocyclopentyl)-3-methylbut-2-enamide?
N-(3-fluorocyclopentyl)-3-methylbut-2-enamide has a molecular weight of 185.24 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorocyclopentyl)-3-methylbut-2-enamide is sourced from PubChem (CID 126992672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).