1-(3,4-dihydro-2H-pyran-6-yl)-2-pyrrolidin-1-ylethanone

C11H17NO2 — CID 130854897

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-2-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCCC1)C1=CCCCO1
InChIInChI=1S/C11H17NO2/c13-10(9-12-6-2-3-7-12)11-5-1-4-8-14-11/h5H,1-4,6-9H2
InChIKeyBGBIYONTVMLPGC-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.35
Rot. Bonds3

About 1-(3,4-dihydro-2H-pyran-6-yl)-2-pyrrolidin-1-ylethanone

1-(3,4-dihydro-2H-pyran-6-yl)-2-pyrrolidin-1-ylethanone (PubChem CID 130854897) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-2-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-2-pyrrolidin-1-ylethanone
PubChem CID130854897
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-2-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCCC1)C1=CCCCO1
InChIInChI=1S/C11H17NO2/c13-10(9-12-6-2-3-7-12)11-5-1-4-8-14-11/h5H,1-4,6-9H2
InChIKeyBGBIYONTVMLPGC-UHFFFAOYSA-N
XLogP1.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-dihydro-2H-pyran-6-yl)-2-pyrrolidin-1-ylethanone 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-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one
CID 102646934
1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-pyrrolidin-1-ylbutan-1-one
CID 102646939
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethyl-2-pyrrolidin-1-ylbutan-1-one
CID 102646943
1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)ethanone
CID 102646952
1-(2,3-Dihydrofuran-5-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one
CID 102651006

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-pyrrolidin-1-ylethanone?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-pyrrolidin-1-ylethanone (CID 130854897) is 1-(3,4-dihydro-2H-pyran-6-yl)-2-pyrrolidin-1-ylethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2-pyrrolidin-1-ylethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2-pyrrolidin-1-ylethanone is O=C(CN1CCCC1)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2-pyrrolidin-1-ylethanone?
The InChIKey is BGBIYONTVMLPGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c13-10(9-12-6-2-3-7-12)11-5-1-4-8-14-11/h5H,1-4,6-9H2.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2-pyrrolidin-1-ylethanone?
1-(3,4-dihydro-2H-pyran-6-yl)-2-pyrrolidin-1-ylethanone has a molecular weight of 195.26 g/mol, XLogP of 1.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)-2-pyrrolidin-1-ylethanone is sourced from PubChem (CID 130854897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).