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

C10H17NO2 — CID 102647000

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-3-(dimethylamino)propan-1-one
SMILESCN(C)CCC(=O)C1=CCCCO1
InChIInChI=1S/C10H17NO2/c1-11(2)7-6-9(12)10-5-3-4-8-13-10/h5H,3-4,6-8H2,1-2H3
InChIKeyIUXQRLWZNNYYEP-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.20
Rot. Bonds4

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

1-(3,4-dihydro-2H-pyran-6-yl)-3-(dimethylamino)propan-1-one (PubChem CID 102647000) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-3-(dimethylamino)propan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-3-(dimethylamino)propan-1-one
PubChem CID102647000
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-3-(dimethylamino)propan-1-one
SMILESCN(C)CCC(=O)C1=CCCCO1
InChIInChI=1S/C10H17NO2/c1-11(2)7-6-9(12)10-5-3-4-8-13-10/h5H,3-4,6-8H2,1-2H3
InChIKeyIUXQRLWZNNYYEP-UHFFFAOYSA-N
XLogP1.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(diethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one
CID 102646950
1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)ethanone
CID 102646952
1-(3,4-dihydro-2H-pyran-6-yl)-3-(propan-2-ylamino)propan-1-one
CID 102648299
1-(3,4-dihydro-2H-pyran-6-yl)-3-(methylamino)propan-1-one
CID 102648317
1-(3,4-dihydro-2H-pyran-6-yl)-3-(ethylamino)propan-1-one
CID 102648334
1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-3-(methylamino)propan-1-one
CID 102648408
3-(Diethylamino)-1-(2,3-dihydrofuran-5-yl)propan-1-one
CID 102651026
1-(2,3-Dihydrofuran-5-yl)-3-(dimethylamino)propan-1-one
CID 102651077

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-3-(dimethylamino)propan-1-one?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-3-(dimethylamino)propan-1-one (CID 102647000) is 1-(3,4-dihydro-2H-pyran-6-yl)-3-(dimethylamino)propan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-3-(dimethylamino)propan-1-one?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-3-(dimethylamino)propan-1-one is CN(C)CCC(=O)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-3-(dimethylamino)propan-1-one?
The InChIKey is IUXQRLWZNNYYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-11(2)7-6-9(12)10-5-3-4-8-13-10/h5H,3-4,6-8H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-3-(dimethylamino)propan-1-one?
1-(3,4-dihydro-2H-pyran-6-yl)-3-(dimethylamino)propan-1-one has a molecular weight of 183.25 g/mol, XLogP of 1.20, 4 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)-3-(dimethylamino)propan-1-one is sourced from PubChem (CID 102647000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).