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

C10H15NO2 — CID 102648343

IUPAC3,4-dihydro-2H-pyran-6-yl(pyrrolidin-3-yl)methanone
SMILESO=C(C1=CCCCO1)C1CCNC1
InChIInChI=1S/C10H15NO2/c12-10(8-4-5-11-7-8)9-3-1-2-6-13-9/h3,8,11H,1-2,4-7H2
InChIKeyQEEMWNGAUNRSNI-UHFFFAOYSA-N
MW181.23 g/mol
LogP0.86
Rot. Bonds2

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

3,4-dihydro-2H-pyran-6-yl(pyrrolidin-3-yl)methanone (PubChem CID 102648343) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl(pyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl(pyrrolidin-3-yl)methanone
PubChem CID102648343
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name3,4-dihydro-2H-pyran-6-yl(pyrrolidin-3-yl)methanone
SMILESO=C(C1=CCCCO1)C1CCNC1
InChIInChI=1S/C10H15NO2/c12-10(8-4-5-11-7-8)9-3-1-2-6-13-9/h3,8,11H,1-2,4-7H2
InChIKeyQEEMWNGAUNRSNI-UHFFFAOYSA-N
XLogP0.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydro-2H-pyran-6-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 102648359
2,3-Dihydrofuran-5-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 102652482
3,4-dihydro-2H-pyran-6-yl(piperidin-4-yl)methanone
CID 102648266
3,4-dihydro-2H-pyran-6-yl-(3-methylpyrrolidin-3-yl)methanone
CID 102648349
3,4-dihydro-2H-pyran-6-yl-(3-ethylpyrrolidin-3-yl)methanone
CID 102648350
3,4-dihydro-2H-pyran-6-yl-(3-propylpyrrolidin-3-yl)methanone
CID 102648351
3,4-dihydro-2H-pyran-6-yl-(4-methylpyrrolidin-3-yl)methanone
CID 102648358
2-(azetidin-3-yl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
CID 102648392
1-(3,4-dihydro-2H-pyran-6-yl)-2-pyrrolidin-3-ylethanone
CID 102648396
3,4-dihydro-2H-pyran-6-yl-(2-methylpyrrolidin-3-yl)methanone
CID 102648426
2,3-Dihydrofuran-5-yl(piperidin-4-yl)methanone
CID 102652389
2,3-Dihydrofuran-5-yl-(4-methylpiperidin-4-yl)methanone
CID 102652463

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl(pyrrolidin-3-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl(pyrrolidin-3-yl)methanone (CID 102648343) is 3,4-dihydro-2H-pyran-6-yl(pyrrolidin-3-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl(pyrrolidin-3-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl(pyrrolidin-3-yl)methanone is O=C(C1=CCCCO1)C1CCNC1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl(pyrrolidin-3-yl)methanone?
The InChIKey is QEEMWNGAUNRSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c12-10(8-4-5-11-7-8)9-3-1-2-6-13-9/h3,8,11H,1-2,4-7H2.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl(pyrrolidin-3-yl)methanone?
3,4-dihydro-2H-pyran-6-yl(pyrrolidin-3-yl)methanone has a molecular weight of 181.23 g/mol, XLogP of 0.86, 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(pyrrolidin-3-yl)methanone is sourced from PubChem (CID 102648343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).