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

C10H17NO2 — CID 102648453

IUPAC3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(CN)C(=O)C1=CCCCO1
InChIInChI=1S/C10H17NO2/c1-10(2,7-11)9(12)8-5-3-4-6-13-8/h5H,3-4,6-7,11H2,1-2H3
InChIKeyGVYDCSKWWIWOCW-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.23
Rot. Bonds3

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

3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2,2-dimethylpropan-1-one (PubChem CID 102648453) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2,2-dimethylpropan-1-one
PubChem CID102648453
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(CN)C(=O)C1=CCCCO1
InChIInChI=1S/C10H17NO2/c1-10(2,7-11)9(12)8-5-3-4-6-13-8/h5H,3-4,6-7,11H2,1-2H3
InChIKeyGVYDCSKWWIWOCW-UHFFFAOYSA-N
XLogP1.23
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2,2-dimethylpropan-1-one (CID 102648453) is 3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2,2-dimethylpropan-1-one is CC(C)(CN)C(=O)C1=CCCCO1.
What is the InChIKey of 3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2,2-dimethylpropan-1-one?
The InChIKey is GVYDCSKWWIWOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-10(2,7-11)9(12)8-5-3-4-6-13-8/h5H,3-4,6-7,11H2,1-2H3.
What are the key properties of 3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2,2-dimethylpropan-1-one?
3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2,2-dimethylpropan-1-one has a molecular weight of 183.25 g/mol, XLogP of 1.23, 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)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 102648453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).