2-(1-aminocyclopentyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone

C12H19NO2 — CID 102648379

IUPAC2-(1-aminocyclopentyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
SMILESNC1(CC(=O)C2=CCCCO2)CCCC1
InChIInChI=1S/C12H19NO2/c13-12(6-2-3-7-12)9-10(14)11-5-1-4-8-15-11/h5H,1-4,6-9,13H2
InChIKeyDOZFLXKQDBXMGD-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.91
Rot. Bonds3

About 2-(1-aminocyclopentyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone

2-(1-aminocyclopentyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone (PubChem CID 102648379) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(1-aminocyclopentyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone.

Molecular Properties

Compound Name2-(1-aminocyclopentyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
PubChem CID102648379
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name2-(1-aminocyclopentyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
SMILESNC1(CC(=O)C2=CCCCO2)CCCC1
InChIInChI=1S/C12H19NO2/c13-12(6-2-3-7-12)9-10(14)11-5-1-4-8-15-11/h5H,1-4,6-9,13H2
InChIKeyDOZFLXKQDBXMGD-UHFFFAOYSA-N
XLogP1.91
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-aminocyclopentyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone 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 2-(1-aminocyclopentyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone?
The IUPAC name of 2-(1-aminocyclopentyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone (CID 102648379) is 2-(1-aminocyclopentyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone.
What is the SMILES notation for 2-(1-aminocyclopentyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone?
The canonical SMILES for 2-(1-aminocyclopentyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone is NC1(CC(=O)C2=CCCCO2)CCCC1.
What is the InChIKey of 2-(1-aminocyclopentyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone?
The InChIKey is DOZFLXKQDBXMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c13-12(6-2-3-7-12)9-10(14)11-5-1-4-8-15-11/h5H,1-4,6-9,13H2.
What are the key properties of 2-(1-aminocyclopentyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone?
2-(1-aminocyclopentyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone has a molecular weight of 209.29 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopentyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone is sourced from PubChem (CID 102648379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).