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

C10H15NO2 — CID 102648265

IUPAC3,4-dihydro-2H-pyran-6-yl(pyrrolidin-2-yl)methanone
SMILESO=C(C1=CCCCO1)C1CCCN1
InChIInChI=1S/C10H15NO2/c12-10(8-4-3-6-11-8)9-5-1-2-7-13-9/h5,8,11H,1-4,6-7H2
InChIKeyFNPZTGKBGPFAOR-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.00
Rot. Bonds2

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

3,4-dihydro-2H-pyran-6-yl(pyrrolidin-2-yl)methanone (PubChem CID 102648265) 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-2-yl)methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl(pyrrolidin-2-yl)methanone
PubChem CID102648265
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name3,4-dihydro-2H-pyran-6-yl(pyrrolidin-2-yl)methanone
SMILESO=C(C1=CCCCO1)C1CCCN1
InChIInChI=1S/C10H15NO2/c12-10(8-4-3-6-11-8)9-5-1-2-7-13-9/h5,8,11H,1-4,6-7H2
InChIKeyFNPZTGKBGPFAOR-UHFFFAOYSA-N
XLogP1.00
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 ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl(pyrrolidin-2-yl)methanone?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl(pyrrolidin-2-yl)methanone (CID 102648265) is 3,4-dihydro-2H-pyran-6-yl(pyrrolidin-2-yl)methanone.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl(pyrrolidin-2-yl)methanone?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl(pyrrolidin-2-yl)methanone is O=C(C1=CCCCO1)C1CCCN1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl(pyrrolidin-2-yl)methanone?
The InChIKey is FNPZTGKBGPFAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c12-10(8-4-3-6-11-8)9-5-1-2-7-13-9/h5,8,11H,1-4,6-7H2.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl(pyrrolidin-2-yl)methanone?
3,4-dihydro-2H-pyran-6-yl(pyrrolidin-2-yl)methanone has a molecular weight of 181.23 g/mol, XLogP of 1.00, 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-2-yl)methanone is sourced from PubChem (CID 102648265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).