3,4-dihydro-2H-pyran-6-yl-(2-methylpyrrolidin-2-yl)methanone

C11H17NO2 — CID 102648385

IUPAC3,4-dihydro-2H-pyran-6-yl-(2-methylpyrrolidin-2-yl)methanone
SMILESCC1(C(=O)C2=CCCCO2)CCCN1
InChIInChI=1S/C11H17NO2/c1-11(6-4-7-12-11)10(13)9-5-2-3-8-14-9/h5,12H,2-4,6-8H2,1H3
InChIKeyGNDOHKAKYAVWBP-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.39
Rot. Bonds2

About 3,4-dihydro-2H-pyran-6-yl-(2-methylpyrrolidin-2-yl)methanone

3,4-dihydro-2H-pyran-6-yl-(2-methylpyrrolidin-2-yl)methanone (PubChem CID 102648385) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl-(2-methylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-(2-methylpyrrolidin-2-yl)methanone
PubChem CID102648385
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name3,4-dihydro-2H-pyran-6-yl-(2-methylpyrrolidin-2-yl)methanone
SMILESCC1(C(=O)C2=CCCCO2)CCCN1
InChIInChI=1S/C11H17NO2/c1-11(6-4-7-12-11)10(13)9-5-2-3-8-14-9/h5,12H,2-4,6-8H2,1H3
InChIKeyGNDOHKAKYAVWBP-UHFFFAOYSA-N
XLogP1.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
3,4-dihydro-2H-pyran-6-yl(pyrrolidin-2-yl)methanone
CID 102648265
1-(3,4-dihydro-2H-pyran-6-yl)-2-pyrrolidin-3-ylethanone
CID 102648396
1-(3,4-dihydro-2H-pyran-6-yl)-3-pyrrolidin-3-ylpropan-1-one
CID 102648476
3,4-dihydro-2H-pyran-6-yl-(2-ethylpyrrolidin-2-yl)methanone
CID 102648483
3,4-dihydro-2H-pyran-6-yl-(2-methylpiperidin-2-yl)methanone
CID 102648503
2,3-Dihydrofuran-5-yl(pyrrolidin-2-yl)methanone
CID 102652388
1-(2,3-Dihydrofuran-5-yl)-2-piperidin-4-ylethanone
CID 102652436
2,3-Dihydrofuran-5-yl-(2-methylpyrrolidin-2-yl)methanone
CID 102652509
2,3-Dihydrofuran-5-yl-(2-ethylpyrrolidin-2-yl)methanone
CID 102652609
2,3-Dihydrofuran-5-yl-(2-methylpiperidin-2-yl)methanone
CID 102652631

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(2-methylpyrrolidin-2-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(2-methylpyrrolidin-2-yl)methanone (CID 102648385) is 3,4-dihydro-2H-pyran-6-yl-(2-methylpyrrolidin-2-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-(2-methylpyrrolidin-2-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-(2-methylpyrrolidin-2-yl)methanone is CC1(C(=O)C2=CCCCO2)CCCN1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-(2-methylpyrrolidin-2-yl)methanone?
The InChIKey is GNDOHKAKYAVWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-11(6-4-7-12-11)10(13)9-5-2-3-8-14-9/h5,12H,2-4,6-8H2,1H3.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-(2-methylpyrrolidin-2-yl)methanone?
3,4-dihydro-2H-pyran-6-yl-(2-methylpyrrolidin-2-yl)methanone has a molecular weight of 195.26 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-6-yl-(2-methylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 102648385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).