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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(Aminomethyl)-5-butoxypyran-4-one
CID 82064025
(3R)-3-amino-3,4-dihydro-2H-pyran-6-carbaldehyde
CID 88571405
1-(3-amino-4-methyl-3,4-dihydro-2H-pyran-6-yl)ethanone
CID 144746805
(E)-3-(2-aminopropoxy)hex-3-en-2-one
CID 169847945
3-(2-Aminoethoxy)-2-methylpyran-4-one
CID 82503147
2-Amino-1-(3,4-dihydro-2H-pyran-6-yl)ethan-1-one
CID 84020686
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
3-(2-Aminopropoxy)-2-methylpyran-4-one
CID 84658988
2-amino-1-(3,4-dihydro-2H-pyran-6-yl)butan-1-one
CID 102648398
2-(2-aminoethoxy)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
CID 102648422
2-amino-1-(3,4-dihydro-2H-pyran-6-yl)-3-methoxypropan-1-one
CID 102648432

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).