3,4-dihydro-2H-pyran-3-amine;hydrochloride

C5H10ClNO — CID 141110786

IUPAC3,4-dihydro-2H-pyran-3-amine;hydrochloride
SMILESCl.NC1CC=COC1
InChIInChI=1S/C5H9NO.ClH/c6-5-2-1-3-7-4-5;/h1,3,5H,2,4,6H2;1H
InChIKeyHNDFWJLZEWAISM-UHFFFAOYSA-N
MW135.59 g/mol
LogP0.67
Rot. Bonds

About 3,4-dihydro-2H-pyran-3-amine;hydrochloride

3,4-dihydro-2H-pyran-3-amine;hydrochloride (PubChem CID 141110786) has the molecular formula C5H10ClNO and a molecular weight of 135.59 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-3-amine;hydrochloride.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-3-amine;hydrochloride
PubChem CID141110786
Molecular FormulaC5H10ClNO
Molecular Weight135.59 g/mol
Exact Mass135.05
IUPAC Name3,4-dihydro-2H-pyran-3-amine;hydrochloride
SMILESCl.NC1CC=COC1
InChIInChI=1S/C5H9NO.ClH/c6-5-2-1-3-7-4-5;/h1,3,5H,2,4,6H2;1H
InChIKeyHNDFWJLZEWAISM-UHFFFAOYSA-N
XLogP0.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.59
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-3-amine;hydrochloride?
The IUPAC name of 3,4-dihydro-2H-pyran-3-amine;hydrochloride (CID 141110786) is 3,4-dihydro-2H-pyran-3-amine;hydrochloride.
What is the SMILES notation for 3,4-dihydro-2H-pyran-3-amine;hydrochloride?
The canonical SMILES for 3,4-dihydro-2H-pyran-3-amine;hydrochloride is Cl.NC1CC=COC1.
What is the InChIKey of 3,4-dihydro-2H-pyran-3-amine;hydrochloride?
The InChIKey is HNDFWJLZEWAISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO.ClH/c6-5-2-1-3-7-4-5;/h1,3,5H,2,4,6H2;1H.
What are the key properties of 3,4-dihydro-2H-pyran-3-amine;hydrochloride?
3,4-dihydro-2H-pyran-3-amine;hydrochloride has a molecular weight of 135.59 g/mol, XLogP of 0.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-3-amine;hydrochloride is sourced from PubChem (CID 141110786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).