N-(3-fluorocyclopentyl)-2,2,3-trimethylbut-3-enamide

C12H20FNO — CID 126792350

IUPACN-(3-fluorocyclopentyl)-2,2,3-trimethylbut-3-enamide
SMILESC=C(C)C(C)(C)C(=O)NC1CCC(F)C1
InChIInChI=1S/C12H20FNO/c1-8(2)12(3,4)11(15)14-10-6-5-9(13)7-10/h9-10H,1,5-7H2,2-4H3,(H,14,15)
InChIKeyHAQOOWSWGVKINL-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.60
Rot. Bonds3

About N-(3-fluorocyclopentyl)-2,2,3-trimethylbut-3-enamide

N-(3-fluorocyclopentyl)-2,2,3-trimethylbut-3-enamide (PubChem CID 126792350) has the molecular formula C12H20FNO and a molecular weight of 213.30 g/mol. Its IUPAC name is N-(3-fluorocyclopentyl)-2,2,3-trimethylbut-3-enamide.

Molecular Properties

Compound NameN-(3-fluorocyclopentyl)-2,2,3-trimethylbut-3-enamide
PubChem CID126792350
Molecular FormulaC12H20FNO
Molecular Weight213.30 g/mol
Exact Mass213.15
IUPAC NameN-(3-fluorocyclopentyl)-2,2,3-trimethylbut-3-enamide
SMILESC=C(C)C(C)(C)C(=O)NC1CCC(F)C1
InChIInChI=1S/C12H20FNO/c1-8(2)12(3,4)11(15)14-10-6-5-9(13)7-10/h9-10H,1,5-7H2,2-4H3,(H,14,15)
InChIKeyHAQOOWSWGVKINL-UHFFFAOYSA-N
XLogP2.60
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluorocyclopentyl)-2,2-dimethylpropanamide
CID 126992134
tert-butyl 4-(2,2,3-trimethylbut-3-enoylamino)piperidine-1-carboxylate
CID 126819529
N-(3-fluorocyclopentyl)-3-methylbut-2-enamide
CID 126992672
N,N'-di(cycloheptyl)-2,2-dimethylpropanediamide
CID 108966069
N-(3-hydroxycyclopentyl)-2,2-dimethylpropanamide
CID 147180484
3-amino-N-(3,5-dimethylcyclohexyl)-2,2-dimethyl-3-sulfanylidenepropanamide
CID 64731743
N-[(1R,3R)-3-fluorocyclopentyl]benzamide
CID 129348896
N-[(1S,3S)-3-fluorocyclopentyl]benzamide
CID 129348898
N-tert-butyl-N'-cyclohexyl-2,2-dimethylpropanediamide
CID 108958979
3-amino-N-cyclopropyl-3-hydroxyimino-2,2-dimethylpropanamide
CID 76920327
2-bromo-2-methyl-N-(3-methylcyclobutyl)propanamide
CID 114329140
N-(4-acetylcyclohexyl)-2,2-dimethylpropanamide
CID 58356113

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorocyclopentyl)-2,2,3-trimethylbut-3-enamide?
The IUPAC name of N-(3-fluorocyclopentyl)-2,2,3-trimethylbut-3-enamide (CID 126792350) is N-(3-fluorocyclopentyl)-2,2,3-trimethylbut-3-enamide.
What is the SMILES notation for N-(3-fluorocyclopentyl)-2,2,3-trimethylbut-3-enamide?
The canonical SMILES for N-(3-fluorocyclopentyl)-2,2,3-trimethylbut-3-enamide is C=C(C)C(C)(C)C(=O)NC1CCC(F)C1.
What is the InChIKey of N-(3-fluorocyclopentyl)-2,2,3-trimethylbut-3-enamide?
The InChIKey is HAQOOWSWGVKINL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FNO/c1-8(2)12(3,4)11(15)14-10-6-5-9(13)7-10/h9-10H,1,5-7H2,2-4H3,(H,14,15).
What are the key properties of N-(3-fluorocyclopentyl)-2,2,3-trimethylbut-3-enamide?
N-(3-fluorocyclopentyl)-2,2,3-trimethylbut-3-enamide has a molecular weight of 213.30 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorocyclopentyl)-2,2,3-trimethylbut-3-enamide is sourced from PubChem (CID 126792350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).