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

C9H15NO2 — CID 102648317

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-3-(methylamino)propan-1-one
SMILESCNCCC(=O)C1=CCCCO1
InChIInChI=1S/C9H15NO2/c1-10-6-5-8(11)9-4-2-3-7-12-9/h4,10H,2-3,5-7H2,1H3
InChIKeyDMILXXYDRZMNSP-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.86
Rot. Bonds4

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

1-(3,4-dihydro-2H-pyran-6-yl)-3-(methylamino)propan-1-one (PubChem CID 102648317) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-3-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-3-(methylamino)propan-1-one
PubChem CID102648317
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-3-(methylamino)propan-1-one
SMILESCNCCC(=O)C1=CCCCO1
InChIInChI=1S/C9H15NO2/c1-10-6-5-8(11)9-4-2-3-7-12-9/h4,10H,2-3,5-7H2,1H3
InChIKeyDMILXXYDRZMNSP-UHFFFAOYSA-N
XLogP0.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-pyran-6-yl)-2-(methylamino)ethan-1-one
CID 84020971
3-(diethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one
CID 102646950
1-(3,4-dihydro-2H-pyran-6-yl)-3-(dimethylamino)propan-1-one
CID 102647000
3-amino-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one
CID 102648279
1-(3,4-dihydro-2H-pyran-6-yl)-4-(methylamino)butan-1-one
CID 102648296
3-amino-1-(3,4-dihydro-2H-pyran-6-yl)butan-1-one
CID 102648297
1-(3,4-dihydro-2H-pyran-6-yl)-3-(propan-2-ylamino)propan-1-one
CID 102648299
3-(tert-butylamino)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one
CID 102648304
3-(cyclopropylamino)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one
CID 102648309
1-(3,4-dihydro-2H-pyran-6-yl)-2-(ethylamino)ethanone
CID 102648322
1-(3,4-dihydro-2H-pyran-6-yl)-2-(propylamino)ethanone
CID 102648323
3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylpropan-1-one
CID 102648329

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-3-(methylamino)propan-1-one?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-3-(methylamino)propan-1-one (CID 102648317) is 1-(3,4-dihydro-2H-pyran-6-yl)-3-(methylamino)propan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-3-(methylamino)propan-1-one?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-3-(methylamino)propan-1-one is CNCCC(=O)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-3-(methylamino)propan-1-one?
The InChIKey is DMILXXYDRZMNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-10-6-5-8(11)9-4-2-3-7-12-9/h4,10H,2-3,5-7H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-3-(methylamino)propan-1-one?
1-(3,4-dihydro-2H-pyran-6-yl)-3-(methylamino)propan-1-one has a molecular weight of 169.22 g/mol, XLogP of 0.86, 4 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)-3-(methylamino)propan-1-one is sourced from PubChem (CID 102648317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).