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

C9H15NO2 — CID 102648398

IUPAC2-amino-1-(3,4-dihydro-2H-pyran-6-yl)butan-1-one
SMILESCCC(N)C(=O)C1=CCCCO1
InChIInChI=1S/C9H15NO2/c1-2-7(10)9(11)8-5-3-4-6-12-8/h5,7H,2-4,6,10H2,1H3
InChIKeyVLJBXQNIRAYSBR-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.99
Rot. Bonds3

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

2-amino-1-(3,4-dihydro-2H-pyran-6-yl)butan-1-one (PubChem CID 102648398) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-amino-1-(3,4-dihydro-2H-pyran-6-yl)butan-1-one.

Molecular Properties

Compound Name2-amino-1-(3,4-dihydro-2H-pyran-6-yl)butan-1-one
PubChem CID102648398
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-amino-1-(3,4-dihydro-2H-pyran-6-yl)butan-1-one
SMILESCCC(N)C(=O)C1=CCCCO1
InChIInChI=1S/C9H15NO2/c1-2-7(10)9(11)8-5-3-4-6-12-8/h5,7H,2-4,6,10H2,1H3
InChIKeyVLJBXQNIRAYSBR-UHFFFAOYSA-N
XLogP0.99
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 ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Related Compounds

1-(3-amino-3,4-dihydro-2H-pyran-6-yl)ethanone
CID 129146436
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)-3-methylbutan-1-one
CID 102648272
2-amino-1-(3,4-dihydro-2H-pyran-6-yl)-3-methylpentan-1-one
CID 102648286
4-amino-1-(3,4-dihydro-2H-pyran-6-yl)butan-1-one
CID 102648288
2-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methylpentan-1-one
CID 102648289
2-amino-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one
CID 102648292
3-amino-1-(3,4-dihydro-2H-pyran-6-yl)butan-1-one
CID 102648297
2-amino-1-(3,4-dihydro-2H-pyran-6-yl)hexan-1-one
CID 102648300
1-(3,4-dihydro-2H-pyran-6-yl)-2-(methylamino)propan-1-one
CID 102648331
2-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methoxybutan-1-one
CID 102648339

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3,4-dihydro-2H-pyran-6-yl)butan-1-one?
The IUPAC name of 2-amino-1-(3,4-dihydro-2H-pyran-6-yl)butan-1-one (CID 102648398) is 2-amino-1-(3,4-dihydro-2H-pyran-6-yl)butan-1-one.
What is the SMILES notation for 2-amino-1-(3,4-dihydro-2H-pyran-6-yl)butan-1-one?
The canonical SMILES for 2-amino-1-(3,4-dihydro-2H-pyran-6-yl)butan-1-one is CCC(N)C(=O)C1=CCCCO1.
What is the InChIKey of 2-amino-1-(3,4-dihydro-2H-pyran-6-yl)butan-1-one?
The InChIKey is VLJBXQNIRAYSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-2-7(10)9(11)8-5-3-4-6-12-8/h5,7H,2-4,6,10H2,1H3.
What are the key properties of 2-amino-1-(3,4-dihydro-2H-pyran-6-yl)butan-1-one?
2-amino-1-(3,4-dihydro-2H-pyran-6-yl)butan-1-one has a molecular weight of 169.22 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3,4-dihydro-2H-pyran-6-yl)butan-1-one is sourced from PubChem (CID 102648398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).