N-[(1R,2R)-2-ethylcyclopropyl]-2-fluoro-3-methylbut-2-enamide

C10H16FNO — CID 130884659

IUPACN-[(1R,2R)-2-ethylcyclopropyl]-2-fluoro-3-methylbut-2-enamide
SMILESCC[C@@H]1C[C@H]1NC(=O)C(F)=C(C)C
InChIInChI=1S/C10H16FNO/c1-4-7-5-8(7)12-10(13)9(11)6(2)3/h7-8H,4-5H2,1-3H3,(H,12,13)/t7-,8-/m1/s1
InChIKeyFOVTZPRWODDGDS-HTQZYQBOSA-N
MW185.24 g/mol
LogP2.16
Rot. Bonds3

About N-[(1R,2R)-2-ethylcyclopropyl]-2-fluoro-3-methylbut-2-enamide

N-[(1R,2R)-2-ethylcyclopropyl]-2-fluoro-3-methylbut-2-enamide (PubChem CID 130884659) has the molecular formula C10H16FNO and a molecular weight of 185.24 g/mol. Its IUPAC name is N-[(1R,2R)-2-ethylcyclopropyl]-2-fluoro-3-methylbut-2-enamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-ethylcyclopropyl]-2-fluoro-3-methylbut-2-enamide
PubChem CID130884659
Molecular FormulaC10H16FNO
Molecular Weight185.24 g/mol
Exact Mass185.12
IUPAC NameN-[(1R,2R)-2-ethylcyclopropyl]-2-fluoro-3-methylbut-2-enamide
SMILESCC[C@@H]1C[C@H]1NC(=O)C(F)=C(C)C
InChIInChI=1S/C10H16FNO/c1-4-7-5-8(7)12-10(13)9(11)6(2)3/h7-8H,4-5H2,1-3H3,(H,12,13)/t7-,8-/m1/s1
InChIKeyFOVTZPRWODDGDS-HTQZYQBOSA-N
XLogP2.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.24
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-[(1R,2R)-2-ethylcyclopropyl]-2-fluoro-3-methylbut-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-ethylcyclopropyl]-2-fluoro-3-methylbut-2-enamide?
The IUPAC name of N-[(1R,2R)-2-ethylcyclopropyl]-2-fluoro-3-methylbut-2-enamide (CID 130884659) is N-[(1R,2R)-2-ethylcyclopropyl]-2-fluoro-3-methylbut-2-enamide.
What is the SMILES notation for N-[(1R,2R)-2-ethylcyclopropyl]-2-fluoro-3-methylbut-2-enamide?
The canonical SMILES for N-[(1R,2R)-2-ethylcyclopropyl]-2-fluoro-3-methylbut-2-enamide is CC[C@@H]1C[C@H]1NC(=O)C(F)=C(C)C.
What is the InChIKey of N-[(1R,2R)-2-ethylcyclopropyl]-2-fluoro-3-methylbut-2-enamide?
The InChIKey is FOVTZPRWODDGDS-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H16FNO/c1-4-7-5-8(7)12-10(13)9(11)6(2)3/h7-8H,4-5H2,1-3H3,(H,12,13)/t7-,8-/m1/s1.
What are the key properties of N-[(1R,2R)-2-ethylcyclopropyl]-2-fluoro-3-methylbut-2-enamide?
N-[(1R,2R)-2-ethylcyclopropyl]-2-fluoro-3-methylbut-2-enamide has a molecular weight of 185.24 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-ethylcyclopropyl]-2-fluoro-3-methylbut-2-enamide is sourced from PubChem (CID 130884659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).