1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one

C13H21NO2 — CID 102646934

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one
SMILESCC(C)(C(=O)C1=CCCCO1)N1CCCC1
InChIInChI=1S/C13H21NO2/c1-13(2,14-8-4-5-9-14)12(15)11-7-3-6-10-16-11/h7H,3-6,8-10H2,1-2H3
InChIKeyQDJLCTJWLNQPAV-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.12
Rot. Bonds3

About 1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one

1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one (PubChem CID 102646934) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one
PubChem CID102646934
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one
SMILESCC(C)(C(=O)C1=CCCCO1)N1CCCC1
InChIInChI=1S/C13H21NO2/c1-13(2,14-8-4-5-9-14)12(15)11-7-3-6-10-16-11/h7H,3-6,8-10H2,1-2H3
InChIKeyQDJLCTJWLNQPAV-UHFFFAOYSA-N
XLogP2.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)-2-methylpropan-1-one
CID 102646932
2-(diethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylpropan-1-one
CID 102646933
1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-piperidin-1-ylpropan-1-one
CID 102646935
1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-morpholin-4-ylpropan-1-one
CID 102646936
1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)-2-methylbutan-1-one
CID 102646937
2-(diethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylbutan-1-one
CID 102646938
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-(dimethylamino)-2-ethylbutan-1-one
CID 102646941
2-(diethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)-2-ethylbutan-1-one
CID 102646942
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-(ethylamino)-2-methylpropan-1-one
CID 102648335
1-(2,3-Dihydrofuran-5-yl)-2-(dimethylamino)-2-methylpropan-1-one
CID 102651004

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one (CID 102646934) is 1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one is CC(C)(C(=O)C1=CCCCO1)N1CCCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one?
The InChIKey is QDJLCTJWLNQPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-13(2,14-8-4-5-9-14)12(15)11-7-3-6-10-16-11/h7H,3-6,8-10H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one?
1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-2-pyrrolidin-1-ylpropan-1-one has a molecular weight of 223.32 g/mol, XLogP of 2.12, 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-methyl-2-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 102646934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).