3-(diethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one

C12H21NO2 — CID 102646950

IUPAC3-(diethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one
SMILESCCN(CC)CCC(=O)C1=CCCCO1
InChIInChI=1S/C12H21NO2/c1-3-13(4-2)9-8-11(14)12-7-5-6-10-15-12/h7H,3-6,8-10H2,1-2H3
InChIKeyKNLIEKLNIBBNAQ-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.98
Rot. Bonds6

About 3-(diethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one

3-(diethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one (PubChem CID 102646950) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 3-(diethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one.

Molecular Properties

Compound Name3-(diethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one
PubChem CID102646950
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name3-(diethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one
SMILESCCN(CC)CCC(=O)C1=CCCCO1
InChIInChI=1S/C12H21NO2/c1-3-13(4-2)9-8-11(14)12-7-5-6-10-15-12/h7H,3-6,8-10H2,1-2H3
InChIKeyKNLIEKLNIBBNAQ-UHFFFAOYSA-N
XLogP1.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one?
The IUPAC name of 3-(diethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one (CID 102646950) is 3-(diethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one.
What is the SMILES notation for 3-(diethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one?
The canonical SMILES for 3-(diethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one is CCN(CC)CCC(=O)C1=CCCCO1.
What is the InChIKey of 3-(diethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one?
The InChIKey is KNLIEKLNIBBNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-3-13(4-2)9-8-11(14)12-7-5-6-10-15-12/h7H,3-6,8-10H2,1-2H3.
What are the key properties of 3-(diethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one?
3-(diethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one has a molecular weight of 211.30 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one is sourced from PubChem (CID 102646950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).