cyclopent-3-en-1-yl-(3-fluoro-3-methylazetidin-1-yl)methanone

C10H14FNO — CID 131176907

IUPACcyclopent-3-en-1-yl-(3-fluoro-3-methylazetidin-1-yl)methanone
SMILESCC1(F)CN(C(=O)C2CC=CC2)C1
InChIInChI=1S/C10H14FNO/c1-10(11)6-12(7-10)9(13)8-4-2-3-5-8/h2-3,8H,4-7H2,1H3
InChIKeyDWTYADCFMKVEKJ-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.52
Rot. Bonds1

About cyclopent-3-en-1-yl-(3-fluoro-3-methylazetidin-1-yl)methanone

cyclopent-3-en-1-yl-(3-fluoro-3-methylazetidin-1-yl)methanone (PubChem CID 131176907) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is cyclopent-3-en-1-yl-(3-fluoro-3-methylazetidin-1-yl)methanone.

Molecular Properties

Compound Namecyclopent-3-en-1-yl-(3-fluoro-3-methylazetidin-1-yl)methanone
PubChem CID131176907
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Namecyclopent-3-en-1-yl-(3-fluoro-3-methylazetidin-1-yl)methanone
SMILESCC1(F)CN(C(=O)C2CC=CC2)C1
InChIInChI=1S/C10H14FNO/c1-10(11)6-12(7-10)9(13)8-4-2-3-5-8/h2-3,8H,4-7H2,1H3
InChIKeyDWTYADCFMKVEKJ-UHFFFAOYSA-N
XLogP1.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.52
H-Bond Donors ≤ 50
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 cyclopent-3-en-1-yl-(3-fluoro-3-methylazetidin-1-yl)methanone?
The IUPAC name of cyclopent-3-en-1-yl-(3-fluoro-3-methylazetidin-1-yl)methanone (CID 131176907) is cyclopent-3-en-1-yl-(3-fluoro-3-methylazetidin-1-yl)methanone.
What is the SMILES notation for cyclopent-3-en-1-yl-(3-fluoro-3-methylazetidin-1-yl)methanone?
The canonical SMILES for cyclopent-3-en-1-yl-(3-fluoro-3-methylazetidin-1-yl)methanone is CC1(F)CN(C(=O)C2CC=CC2)C1.
What is the InChIKey of cyclopent-3-en-1-yl-(3-fluoro-3-methylazetidin-1-yl)methanone?
The InChIKey is DWTYADCFMKVEKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-10(11)6-12(7-10)9(13)8-4-2-3-5-8/h2-3,8H,4-7H2,1H3.
What are the key properties of cyclopent-3-en-1-yl-(3-fluoro-3-methylazetidin-1-yl)methanone?
cyclopent-3-en-1-yl-(3-fluoro-3-methylazetidin-1-yl)methanone has a molecular weight of 183.23 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-3-en-1-yl-(3-fluoro-3-methylazetidin-1-yl)methanone is sourced from PubChem (CID 131176907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).