N-cyclopent-3-en-1-yl-2-fluoro-3-methylbutanamide

C10H16FNO — CID 127000193

IUPACN-cyclopent-3-en-1-yl-2-fluoro-3-methylbutanamide
SMILESCC(C)C(F)C(=O)NC1CC=CC1
InChIInChI=1S/C10H16FNO/c1-7(2)9(11)10(13)12-8-5-3-4-6-8/h3-4,7-9H,5-6H2,1-2H3,(H,12,13)
InChIKeyFJZRFLVRSIQLJH-UHFFFAOYSA-N
MW185.24 g/mol
LogP1.82
Rot. Bonds3

About N-cyclopent-3-en-1-yl-2-fluoro-3-methylbutanamide

N-cyclopent-3-en-1-yl-2-fluoro-3-methylbutanamide (PubChem CID 127000193) has the molecular formula C10H16FNO and a molecular weight of 185.24 g/mol. Its IUPAC name is N-cyclopent-3-en-1-yl-2-fluoro-3-methylbutanamide.

Molecular Properties

Compound NameN-cyclopent-3-en-1-yl-2-fluoro-3-methylbutanamide
PubChem CID127000193
Molecular FormulaC10H16FNO
Molecular Weight185.24 g/mol
Exact Mass185.12
IUPAC NameN-cyclopent-3-en-1-yl-2-fluoro-3-methylbutanamide
SMILESCC(C)C(F)C(=O)NC1CC=CC1
InChIInChI=1S/C10H16FNO/c1-7(2)9(11)10(13)12-8-5-3-4-6-8/h3-4,7-9H,5-6H2,1-2H3,(H,12,13)
InChIKeyFJZRFLVRSIQLJH-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopent-3-en-1-yl-2-fluoro-3-methylbutanamide?
The IUPAC name of N-cyclopent-3-en-1-yl-2-fluoro-3-methylbutanamide (CID 127000193) is N-cyclopent-3-en-1-yl-2-fluoro-3-methylbutanamide.
What is the SMILES notation for N-cyclopent-3-en-1-yl-2-fluoro-3-methylbutanamide?
The canonical SMILES for N-cyclopent-3-en-1-yl-2-fluoro-3-methylbutanamide is CC(C)C(F)C(=O)NC1CC=CC1.
What is the InChIKey of N-cyclopent-3-en-1-yl-2-fluoro-3-methylbutanamide?
The InChIKey is FJZRFLVRSIQLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO/c1-7(2)9(11)10(13)12-8-5-3-4-6-8/h3-4,7-9H,5-6H2,1-2H3,(H,12,13).
What are the key properties of N-cyclopent-3-en-1-yl-2-fluoro-3-methylbutanamide?
N-cyclopent-3-en-1-yl-2-fluoro-3-methylbutanamide has a molecular weight of 185.24 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopent-3-en-1-yl-2-fluoro-3-methylbutanamide is sourced from PubChem (CID 127000193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).