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

C9H15NO3 — CID 102648432

IUPAC2-amino-1-(3,4-dihydro-2H-pyran-6-yl)-3-methoxypropan-1-one
SMILESCOCC(N)C(=O)C1=CCCCO1
InChIInChI=1S/C9H15NO3/c1-12-6-7(10)9(11)8-4-2-3-5-13-8/h4,7H,2-3,5-6,10H2,1H3
InChIKeySTVJRASMPMNNQB-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.22
Rot. Bonds4

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

2-amino-1-(3,4-dihydro-2H-pyran-6-yl)-3-methoxypropan-1-one (PubChem CID 102648432) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 2-amino-1-(3,4-dihydro-2H-pyran-6-yl)-3-methoxypropan-1-one.

Molecular Properties

Compound Name2-amino-1-(3,4-dihydro-2H-pyran-6-yl)-3-methoxypropan-1-one
PubChem CID102648432
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name2-amino-1-(3,4-dihydro-2H-pyran-6-yl)-3-methoxypropan-1-one
SMILESCOCC(N)C(=O)C1=CCCCO1
InChIInChI=1S/C9H15NO3/c1-12-6-7(10)9(11)8-4-2-3-5-13-8/h4,7H,2-3,5-6,10H2,1H3
InChIKeySTVJRASMPMNNQB-UHFFFAOYSA-N
XLogP0.22
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-amino-3,4-dihydro-2H-pyran-6-yl)ethanone
CID 129146436
1-(3-amino-4-methyl-3,4-dihydro-2H-pyran-6-yl)ethanone
CID 144746805
2-Amino-1-(4,5-dihydrofuran-2-yl)propan-1-one
CID 84020688
2-amino-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one
CID 84020972
2-amino-1-(3,4-dihydro-2H-pyran-6-yl)butan-1-one
CID 102648398
2-Amino-1-(2,3-dihydrofuran-5-yl)-3-methoxypropan-1-one
CID 102652557
(2R)-2-amino-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one
CID 165468826
(2S)-2-amino-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one
CID 165715794
(2R)-2-amino-1-(4,5-dihydrofuran-2-yl)propan-1-one
CID 165865110
(2S)-2-amino-1-(4,5-dihydrofuran-2-yl)propan-1-one
CID 165867637

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3,4-dihydro-2H-pyran-6-yl)-3-methoxypropan-1-one?
The IUPAC name of 2-amino-1-(3,4-dihydro-2H-pyran-6-yl)-3-methoxypropan-1-one (CID 102648432) is 2-amino-1-(3,4-dihydro-2H-pyran-6-yl)-3-methoxypropan-1-one.
What is the SMILES notation for 2-amino-1-(3,4-dihydro-2H-pyran-6-yl)-3-methoxypropan-1-one?
The canonical SMILES for 2-amino-1-(3,4-dihydro-2H-pyran-6-yl)-3-methoxypropan-1-one is COCC(N)C(=O)C1=CCCCO1.
What is the InChIKey of 2-amino-1-(3,4-dihydro-2H-pyran-6-yl)-3-methoxypropan-1-one?
The InChIKey is STVJRASMPMNNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-12-6-7(10)9(11)8-4-2-3-5-13-8/h4,7H,2-3,5-6,10H2,1H3.
What are the key properties of 2-amino-1-(3,4-dihydro-2H-pyran-6-yl)-3-methoxypropan-1-one?
2-amino-1-(3,4-dihydro-2H-pyran-6-yl)-3-methoxypropan-1-one has a molecular weight of 185.22 g/mol, XLogP of 0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3,4-dihydro-2H-pyran-6-yl)-3-methoxypropan-1-one is sourced from PubChem (CID 102648432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).