1-(3-fluoro-3-methylpyrrolidin-1-yl)pent-4-yn-1-one

C10H14FNO — CID 130638343

IUPAC1-(3-fluoro-3-methylpyrrolidin-1-yl)pent-4-yn-1-one
SMILESC#CCCC(=O)N1CCC(C)(F)C1
InChIInChI=1S/C10H14FNO/c1-3-4-5-9(13)12-7-6-10(2,11)8-12/h1H,4-8H2,2H3
InChIKeyANJQHGZOIZGECZ-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.36
Rot. Bonds2

About 1-(3-fluoro-3-methylpyrrolidin-1-yl)pent-4-yn-1-one

1-(3-fluoro-3-methylpyrrolidin-1-yl)pent-4-yn-1-one (PubChem CID 130638343) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 1-(3-fluoro-3-methylpyrrolidin-1-yl)pent-4-yn-1-one.

Molecular Properties

Compound Name1-(3-fluoro-3-methylpyrrolidin-1-yl)pent-4-yn-1-one
PubChem CID130638343
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name1-(3-fluoro-3-methylpyrrolidin-1-yl)pent-4-yn-1-one
SMILESC#CCCC(=O)N1CCC(C)(F)C1
InChIInChI=1S/C10H14FNO/c1-3-4-5-9(13)12-7-6-10(2,11)8-12/h1H,4-8H2,2H3
InChIKeyANJQHGZOIZGECZ-UHFFFAOYSA-N
XLogP1.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(3-fluoro-3-methylpyrrolidin-1-yl)pent-4-yn-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,3-difluoropyrrolidin-1-yl)pent-4-yn-1-one
CID 130744097
1-(3-hydroxy-3-methylpyrrolidin-1-yl)hept-6-yn-1-one
CID 103908950
ethane;1-(3-fluoro-3-methylpyrrolidin-1-yl)ethanone
CID 144575237
1-(3-methylpyrrolidin-1-yl)pent-4-yn-1-one
CID 130660557
1-pent-4-ynoylpiperidin-4-one
CID 131153334
1-pent-4-ynoylpiperidine-4-carboxylic acid
CID 103840880
(3-fluoro-3-methylpyrrolidin-1-yl)-(oxetan-3-yl)methanone
CID 127013160
1-(3-ethynyl-3-hydroxypyrrolidin-1-yl)butan-1-one
CID 130684712
1-(3-hydroxy-5-methylpiperidin-1-yl)pent-4-yn-1-one
CID 130987806
1-[4,4-bis(hydroxymethyl)piperidin-1-yl]hept-6-yn-1-one
CID 134168411
1-(3,3-dimethylpyrrolidin-1-yl)-3-sulfanylpropan-1-one
CID 107032417
4-pent-4-ynoylpiperazine-1-sulfonamide
CID 106741442

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-3-methylpyrrolidin-1-yl)pent-4-yn-1-one?
The IUPAC name of 1-(3-fluoro-3-methylpyrrolidin-1-yl)pent-4-yn-1-one (CID 130638343) is 1-(3-fluoro-3-methylpyrrolidin-1-yl)pent-4-yn-1-one.
What is the SMILES notation for 1-(3-fluoro-3-methylpyrrolidin-1-yl)pent-4-yn-1-one?
The canonical SMILES for 1-(3-fluoro-3-methylpyrrolidin-1-yl)pent-4-yn-1-one is C#CCCC(=O)N1CCC(C)(F)C1.
What is the InChIKey of 1-(3-fluoro-3-methylpyrrolidin-1-yl)pent-4-yn-1-one?
The InChIKey is ANJQHGZOIZGECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-3-4-5-9(13)12-7-6-10(2,11)8-12/h1H,4-8H2,2H3.
What are the key properties of 1-(3-fluoro-3-methylpyrrolidin-1-yl)pent-4-yn-1-one?
1-(3-fluoro-3-methylpyrrolidin-1-yl)pent-4-yn-1-one has a molecular weight of 183.23 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-3-methylpyrrolidin-1-yl)pent-4-yn-1-one is sourced from PubChem (CID 130638343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).