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

C9H15NO2 — CID 102648331

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-2-(methylamino)propan-1-one
SMILESCNC(C)C(=O)C1=CCCCO1
InChIInChI=1S/C9H15NO2/c1-7(10-2)9(11)8-5-3-4-6-12-8/h5,7,10H,3-4,6H2,1-2H3
InChIKeyDDBBHFSALDKRGW-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.86
Rot. Bonds3

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

1-(3,4-dihydro-2H-pyran-6-yl)-2-(methylamino)propan-1-one (PubChem CID 102648331) 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)-2-(methylamino)propan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-2-(methylamino)propan-1-one
PubChem CID102648331
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-2-(methylamino)propan-1-one
SMILESCNC(C)C(=O)C1=CCCCO1
InChIInChI=1S/C9H15NO2/c1-7(10-2)9(11)8-5-3-4-6-12-8/h5,7,10H,3-4,6H2,1-2H3
InChIKeyDDBBHFSALDKRGW-UHFFFAOYSA-N
XLogP0.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

N-(4-ethoxy-3-oxohex-4-en-2-yl)butanamide
CID 173510480
2-Amino-1-(4,5-dihydrofuran-2-yl)propan-1-one
CID 84020688
1-(3,4-dihydro-2H-pyran-6-yl)-2-(methylamino)ethan-1-one
CID 84020971
2-amino-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one
CID 84020972
1-(3,4-dihydro-2H-pyran-6-yl)-2-(dimethylamino)ethanone
CID 102646952
1-(3,4-dihydro-2H-pyran-6-yl)-2-(propan-2-ylamino)ethanone
CID 102648293
2-(cyclopropylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
CID 102648294
2-(butan-2-ylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
CID 102648298
1-(3,4-dihydro-2H-pyran-6-yl)-3-(propan-2-ylamino)propan-1-one
CID 102648299
2-(cyclopentylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
CID 102648308
1-(3,4-dihydro-2H-pyran-6-yl)-3-(methylamino)propan-1-one
CID 102648317
1-(3,4-dihydro-2H-pyran-6-yl)-2-(ethylamino)ethanone
CID 102648322

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-(methylamino)propan-1-one?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-(methylamino)propan-1-one (CID 102648331) is 1-(3,4-dihydro-2H-pyran-6-yl)-2-(methylamino)propan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2-(methylamino)propan-1-one?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2-(methylamino)propan-1-one is CNC(C)C(=O)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2-(methylamino)propan-1-one?
The InChIKey is DDBBHFSALDKRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-7(10-2)9(11)8-5-3-4-6-12-8/h5,7,10H,3-4,6H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2-(methylamino)propan-1-one?
1-(3,4-dihydro-2H-pyran-6-yl)-2-(methylamino)propan-1-one has a molecular weight of 169.22 g/mol, XLogP of 0.86, 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-(methylamino)propan-1-one is sourced from PubChem (CID 102648331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).