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

C11H17NO2 — CID 102648316

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-2-pyrrolidin-2-ylethanone
SMILESO=C(CC1CCCN1)C1=CCCCO1
InChIInChI=1S/C11H17NO2/c13-10(8-9-4-3-6-12-9)11-5-1-2-7-14-11/h5,9,12H,1-4,6-8H2
InChIKeySAWCQDGVHLVTCJ-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.39
Rot. Bonds3

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

1-(3,4-dihydro-2H-pyran-6-yl)-2-pyrrolidin-2-ylethanone (PubChem CID 102648316) 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-2-ylethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-2-pyrrolidin-2-ylethanone
PubChem CID102648316
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-2-pyrrolidin-2-ylethanone
SMILESO=C(CC1CCCN1)C1=CCCCO1
InChIInChI=1S/C11H17NO2/c13-10(8-9-4-3-6-12-9)11-5-1-2-7-14-11/h5,9,12H,1-4,6-8H2
InChIKeySAWCQDGVHLVTCJ-UHFFFAOYSA-N
XLogP1.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

3,4-dihydro-2H-pyran-6-yl(pyrrolidin-2-yl)methanone
CID 102648265
3,4-dihydro-2H-pyran-6-yl(piperidin-2-yl)methanone
CID 102648267
1-(3,4-dihydro-2H-pyran-6-yl)-3-(ethylamino)butan-1-one
CID 102648337
1-(3,4-dihydro-2H-pyran-6-yl)-3-pyrrolidin-3-ylpropan-1-one
CID 102648476
3-amino-1-(3,4-dihydro-2H-pyran-6-yl)hexan-1-one
CID 102648482
2,3-Dihydrofuran-5-yl(piperidin-2-yl)methanone
CID 102652390
1-(2,3-Dihydrofuran-5-yl)-2-pyrrolidin-2-ylethanone
CID 102652439
3-Amino-1-(2,3-dihydrofuran-5-yl)hexan-1-one
CID 102652608

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-pyrrolidin-2-ylethanone?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-pyrrolidin-2-ylethanone (CID 102648316) is 1-(3,4-dihydro-2H-pyran-6-yl)-2-pyrrolidin-2-ylethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2-pyrrolidin-2-ylethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2-pyrrolidin-2-ylethanone is O=C(CC1CCCN1)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2-pyrrolidin-2-ylethanone?
The InChIKey is SAWCQDGVHLVTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c13-10(8-9-4-3-6-12-9)11-5-1-2-7-14-11/h5,9,12H,1-4,6-8H2.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2-pyrrolidin-2-ylethanone?
1-(3,4-dihydro-2H-pyran-6-yl)-2-pyrrolidin-2-ylethanone has a molecular weight of 195.26 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 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-2-ylethanone is sourced from PubChem (CID 102648316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).