2-fluoro-3-methyl-N-[(1-methylcyclopropyl)methyl]but-2-enamide

C10H16FNO — CID 130667851

IUPAC2-fluoro-3-methyl-N-[(1-methylcyclopropyl)methyl]but-2-enamide
SMILESCC(C)=C(F)C(=O)NCC1(C)CC1
InChIInChI=1S/C10H16FNO/c1-7(2)8(11)9(13)12-6-10(3)4-5-10/h4-6H2,1-3H3,(H,12,13)
InChIKeyYMRKSLNHWAZUAN-UHFFFAOYSA-N
MW185.24 g/mol
LogP2.17
Rot. Bonds3

About 2-fluoro-3-methyl-N-[(1-methylcyclopropyl)methyl]but-2-enamide

2-fluoro-3-methyl-N-[(1-methylcyclopropyl)methyl]but-2-enamide (PubChem CID 130667851) has the molecular formula C10H16FNO and a molecular weight of 185.24 g/mol. Its IUPAC name is 2-fluoro-3-methyl-N-[(1-methylcyclopropyl)methyl]but-2-enamide.

Molecular Properties

Compound Name2-fluoro-3-methyl-N-[(1-methylcyclopropyl)methyl]but-2-enamide
PubChem CID130667851
Molecular FormulaC10H16FNO
Molecular Weight185.24 g/mol
Exact Mass185.12
IUPAC Name2-fluoro-3-methyl-N-[(1-methylcyclopropyl)methyl]but-2-enamide
SMILESCC(C)=C(F)C(=O)NCC1(C)CC1
InChIInChI=1S/C10H16FNO/c1-7(2)8(11)9(13)12-6-10(3)4-5-10/h4-6H2,1-3H3,(H,12,13)
InChIKeyYMRKSLNHWAZUAN-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
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 2-fluoro-3-methyl-N-[(1-methylcyclopropyl)methyl]but-2-enamide?
The IUPAC name of 2-fluoro-3-methyl-N-[(1-methylcyclopropyl)methyl]but-2-enamide (CID 130667851) is 2-fluoro-3-methyl-N-[(1-methylcyclopropyl)methyl]but-2-enamide.
What is the SMILES notation for 2-fluoro-3-methyl-N-[(1-methylcyclopropyl)methyl]but-2-enamide?
The canonical SMILES for 2-fluoro-3-methyl-N-[(1-methylcyclopropyl)methyl]but-2-enamide is CC(C)=C(F)C(=O)NCC1(C)CC1.
What is the InChIKey of 2-fluoro-3-methyl-N-[(1-methylcyclopropyl)methyl]but-2-enamide?
The InChIKey is YMRKSLNHWAZUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO/c1-7(2)8(11)9(13)12-6-10(3)4-5-10/h4-6H2,1-3H3,(H,12,13).
What are the key properties of 2-fluoro-3-methyl-N-[(1-methylcyclopropyl)methyl]but-2-enamide?
2-fluoro-3-methyl-N-[(1-methylcyclopropyl)methyl]but-2-enamide has a molecular weight of 185.24 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-N-[(1-methylcyclopropyl)methyl]but-2-enamide is sourced from PubChem (CID 130667851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).