3,6-dihydro-2H-pyran-6-amine

C5H9NO — CID 151181281

IUPAC3,6-dihydro-2H-pyran-6-amine
SMILESNC1C=CCCO1
InChIInChI=1S/C5H9NO/c6-5-3-1-2-4-7-5/h1,3,5H,2,4,6H2
InChIKeyNEIQNZHWECCROE-UHFFFAOYSA-N
MW99.13 g/mol
LogP0.25
Rot. Bonds

About 3,6-dihydro-2H-pyran-6-amine

3,6-dihydro-2H-pyran-6-amine (PubChem CID 151181281) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is 3,6-dihydro-2H-pyran-6-amine.

Molecular Properties

Compound Name3,6-dihydro-2H-pyran-6-amine
PubChem CID151181281
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name3,6-dihydro-2H-pyran-6-amine
SMILESNC1C=CCCO1
InChIInChI=1S/C5H9NO/c6-5-3-1-2-4-7-5/h1,3,5H,2,4,6H2
InChIKeyNEIQNZHWECCROE-UHFFFAOYSA-N
XLogP0.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3,6-dihydro-2H-pyran-6-amine 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 3,6-dihydro-2H-pyran-6-amine?
The IUPAC name of 3,6-dihydro-2H-pyran-6-amine (CID 151181281) is 3,6-dihydro-2H-pyran-6-amine.
What is the SMILES notation for 3,6-dihydro-2H-pyran-6-amine?
The canonical SMILES for 3,6-dihydro-2H-pyran-6-amine is NC1C=CCCO1.
What is the InChIKey of 3,6-dihydro-2H-pyran-6-amine?
The InChIKey is NEIQNZHWECCROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO/c6-5-3-1-2-4-7-5/h1,3,5H,2,4,6H2.
What are the key properties of 3,6-dihydro-2H-pyran-6-amine?
3,6-dihydro-2H-pyran-6-amine has a molecular weight of 99.13 g/mol, XLogP of 0.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydro-2H-pyran-6-amine is sourced from PubChem (CID 151181281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).