2-fluoro-N-[2-(hydroxymethyl)cyclopropyl]-3-methylbut-2-enamide

C9H14FNO2 — CID 130667850

IUPAC2-fluoro-N-[2-(hydroxymethyl)cyclopropyl]-3-methylbut-2-enamide
SMILESCC(C)=C(F)C(=O)NC1CC1CO
InChIInChI=1S/C9H14FNO2/c1-5(2)8(10)9(13)11-7-3-6(7)4-12/h6-7,12H,3-4H2,1-2H3,(H,11,13)
InChIKeyJULPYHDQOXRFTI-UHFFFAOYSA-N
MW187.21 g/mol
LogP0.75
Rot. Bonds3

About 2-fluoro-N-[2-(hydroxymethyl)cyclopropyl]-3-methylbut-2-enamide

2-fluoro-N-[2-(hydroxymethyl)cyclopropyl]-3-methylbut-2-enamide (PubChem CID 130667850) has the molecular formula C9H14FNO2 and a molecular weight of 187.21 g/mol. Its IUPAC name is 2-fluoro-N-[2-(hydroxymethyl)cyclopropyl]-3-methylbut-2-enamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(hydroxymethyl)cyclopropyl]-3-methylbut-2-enamide
PubChem CID130667850
Molecular FormulaC9H14FNO2
Molecular Weight187.21 g/mol
Exact Mass187.10
IUPAC Name2-fluoro-N-[2-(hydroxymethyl)cyclopropyl]-3-methylbut-2-enamide
SMILESCC(C)=C(F)C(=O)NC1CC1CO
InChIInChI=1S/C9H14FNO2/c1-5(2)8(10)9(13)11-7-3-6(7)4-12/h6-7,12H,3-4H2,1-2H3,(H,11,13)
InChIKeyJULPYHDQOXRFTI-UHFFFAOYSA-N
XLogP0.75
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.21
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-fluoro-N-[2-(hydroxymethyl)cyclopropyl]-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 2-fluoro-N-[2-(hydroxymethyl)cyclopropyl]-3-methylbut-2-enamide?
The IUPAC name of 2-fluoro-N-[2-(hydroxymethyl)cyclopropyl]-3-methylbut-2-enamide (CID 130667850) is 2-fluoro-N-[2-(hydroxymethyl)cyclopropyl]-3-methylbut-2-enamide.
What is the SMILES notation for 2-fluoro-N-[2-(hydroxymethyl)cyclopropyl]-3-methylbut-2-enamide?
The canonical SMILES for 2-fluoro-N-[2-(hydroxymethyl)cyclopropyl]-3-methylbut-2-enamide is CC(C)=C(F)C(=O)NC1CC1CO.
What is the InChIKey of 2-fluoro-N-[2-(hydroxymethyl)cyclopropyl]-3-methylbut-2-enamide?
The InChIKey is JULPYHDQOXRFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO2/c1-5(2)8(10)9(13)11-7-3-6(7)4-12/h6-7,12H,3-4H2,1-2H3,(H,11,13).
What are the key properties of 2-fluoro-N-[2-(hydroxymethyl)cyclopropyl]-3-methylbut-2-enamide?
2-fluoro-N-[2-(hydroxymethyl)cyclopropyl]-3-methylbut-2-enamide has a molecular weight of 187.21 g/mol, XLogP of 0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(hydroxymethyl)cyclopropyl]-3-methylbut-2-enamide is sourced from PubChem (CID 130667850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).