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

C7H11NO2 — CID 129146436

IUPAC1-(3-amino-3,4-dihydro-2H-pyran-6-yl)ethanone
SMILESCC(=O)C1=CCC(N)CO1
InChIInChI=1S/C7H11NO2/c1-5(9)7-3-2-6(8)4-10-7/h3,6H,2,4,8H2,1H3
InChIKeyLNDMVQPGKBZRRK-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.21
Rot. Bonds1

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

1-(3-amino-3,4-dihydro-2H-pyran-6-yl)ethanone (PubChem CID 129146436) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 1-(3-amino-3,4-dihydro-2H-pyran-6-yl)ethanone.

Molecular Properties

Compound Name1-(3-amino-3,4-dihydro-2H-pyran-6-yl)ethanone
PubChem CID129146436
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name1-(3-amino-3,4-dihydro-2H-pyran-6-yl)ethanone
SMILESCC(=O)C1=CCC(N)CO1
InChIInChI=1S/C7H11NO2/c1-5(9)7-3-2-6(8)4-10-7/h3,6H,2,4,8H2,1H3
InChIKeyLNDMVQPGKBZRRK-UHFFFAOYSA-N
XLogP0.21
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-3,4-dihydro-2H-pyran-6-yl)ethanone?
The IUPAC name of 1-(3-amino-3,4-dihydro-2H-pyran-6-yl)ethanone (CID 129146436) is 1-(3-amino-3,4-dihydro-2H-pyran-6-yl)ethanone.
What is the SMILES notation for 1-(3-amino-3,4-dihydro-2H-pyran-6-yl)ethanone?
The canonical SMILES for 1-(3-amino-3,4-dihydro-2H-pyran-6-yl)ethanone is CC(=O)C1=CCC(N)CO1.
What is the InChIKey of 1-(3-amino-3,4-dihydro-2H-pyran-6-yl)ethanone?
The InChIKey is LNDMVQPGKBZRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-5(9)7-3-2-6(8)4-10-7/h3,6H,2,4,8H2,1H3.
What are the key properties of 1-(3-amino-3,4-dihydro-2H-pyran-6-yl)ethanone?
1-(3-amino-3,4-dihydro-2H-pyran-6-yl)ethanone has a molecular weight of 141.17 g/mol, XLogP of 0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-3,4-dihydro-2H-pyran-6-yl)ethanone is sourced from PubChem (CID 129146436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).