3-[(2-fluoro-2-methylcyclopropyl)methyl]-N,N-dipropylbut-3-enamide

C15H26FNO — CID 178053917

IUPAC3-[(2-fluoro-2-methylcyclopropyl)methyl]-N,N-dipropylbut-3-enamide
SMILESC=C(CC(=O)N(CCC)CCC)CC1CC1(C)F
InChIInChI=1S/C15H26FNO/c1-5-7-17(8-6-2)14(18)10-12(3)9-13-11-15(13,4)16/h13H,3,5-11H2,1-2,4H3
InChIKeyZOTPYNONARHETA-UHFFFAOYSA-N
MW255.38 g/mol
LogP3.72
Rot. Bonds8

About 3-[(2-fluoro-2-methylcyclopropyl)methyl]-N,N-dipropylbut-3-enamide

3-[(2-fluoro-2-methylcyclopropyl)methyl]-N,N-dipropylbut-3-enamide (PubChem CID 178053917) has the molecular formula C15H26FNO and a molecular weight of 255.38 g/mol. Its IUPAC name is 3-[(2-fluoro-2-methylcyclopropyl)methyl]-N,N-dipropylbut-3-enamide.

Molecular Properties

Compound Name3-[(2-fluoro-2-methylcyclopropyl)methyl]-N,N-dipropylbut-3-enamide
PubChem CID178053917
Molecular FormulaC15H26FNO
Molecular Weight255.38 g/mol
Exact Mass255.20
IUPAC Name3-[(2-fluoro-2-methylcyclopropyl)methyl]-N,N-dipropylbut-3-enamide
SMILESC=C(CC(=O)N(CCC)CCC)CC1CC1(C)F
InChIInChI=1S/C15H26FNO/c1-5-7-17(8-6-2)14(18)10-12(3)9-13-11-15(13,4)16/h13H,3,5-11H2,1-2,4H3
InChIKeyZOTPYNONARHETA-UHFFFAOYSA-N
XLogP3.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-[(2-fluoro-2-methylcyclopropyl)methyl]-N,N-dipropylbut-3-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 3-[(2-fluoro-2-methylcyclopropyl)methyl]-N,N-dipropylbut-3-enamide?
The IUPAC name of 3-[(2-fluoro-2-methylcyclopropyl)methyl]-N,N-dipropylbut-3-enamide (CID 178053917) is 3-[(2-fluoro-2-methylcyclopropyl)methyl]-N,N-dipropylbut-3-enamide.
What is the SMILES notation for 3-[(2-fluoro-2-methylcyclopropyl)methyl]-N,N-dipropylbut-3-enamide?
The canonical SMILES for 3-[(2-fluoro-2-methylcyclopropyl)methyl]-N,N-dipropylbut-3-enamide is C=C(CC(=O)N(CCC)CCC)CC1CC1(C)F.
What is the InChIKey of 3-[(2-fluoro-2-methylcyclopropyl)methyl]-N,N-dipropylbut-3-enamide?
The InChIKey is ZOTPYNONARHETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26FNO/c1-5-7-17(8-6-2)14(18)10-12(3)9-13-11-15(13,4)16/h13H,3,5-11H2,1-2,4H3.
What are the key properties of 3-[(2-fluoro-2-methylcyclopropyl)methyl]-N,N-dipropylbut-3-enamide?
3-[(2-fluoro-2-methylcyclopropyl)methyl]-N,N-dipropylbut-3-enamide has a molecular weight of 255.38 g/mol, XLogP of 3.72, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluoro-2-methylcyclopropyl)methyl]-N,N-dipropylbut-3-enamide is sourced from PubChem (CID 178053917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).