3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylpropan-1-one

C9H15NO2 — CID 102648329

IUPAC3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylpropan-1-one
SMILESCC(CN)C(=O)C1=CCCCO1
InChIInChI=1S/C9H15NO2/c1-7(6-10)9(11)8-4-2-3-5-12-8/h4,7H,2-3,5-6,10H2,1H3
InChIKeyPQQFANFXZUVVTQ-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.84
Rot. Bonds3

About 3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylpropan-1-one

3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylpropan-1-one (PubChem CID 102648329) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylpropan-1-one
PubChem CID102648329
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylpropan-1-one
SMILESCC(CN)C(=O)C1=CCCCO1
InChIInChI=1S/C9H15NO2/c1-7(6-10)9(11)8-4-2-3-5-12-8/h4,7H,2-3,5-6,10H2,1H3
InChIKeyPQQFANFXZUVVTQ-UHFFFAOYSA-N
XLogP0.84
TPSA52.32 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 ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-amino-4-methyl-3,4-dihydro-2H-pyran-6-yl)ethanone
CID 144746805
3-amino-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one
CID 102648279
3-amino-1-(3,4-dihydro-2H-pyran-6-yl)butan-1-one
CID 102648297
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)-2-methylpropan-1-one
CID 102648332
1-(3,4-dihydro-2H-pyran-6-yl)-3-(ethylamino)propan-1-one
CID 102648334
2-(aminomethyl)-1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutan-1-one
CID 102648363
2-(aminomethyl)-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one
CID 102648365
2-(aminomethyl)-1-(3,4-dihydro-2H-pyran-6-yl)butan-1-one
CID 102648367
azetidin-3-yl(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102648397
1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-3-(methylamino)propan-1-one
CID 102648408
3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2,2-dimethylpropan-1-one
CID 102648453

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylpropan-1-one?
The IUPAC name of 3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylpropan-1-one (CID 102648329) is 3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylpropan-1-one.
What is the SMILES notation for 3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylpropan-1-one?
The canonical SMILES for 3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylpropan-1-one is CC(CN)C(=O)C1=CCCCO1.
What is the InChIKey of 3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylpropan-1-one?
The InChIKey is PQQFANFXZUVVTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-7(6-10)9(11)8-4-2-3-5-12-8/h4,7H,2-3,5-6,10H2,1H3.
What are the key properties of 3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylpropan-1-one?
3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylpropan-1-one has a molecular weight of 169.22 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylpropan-1-one is sourced from PubChem (CID 102648329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).