2-amino-3-(3,4-dihydro-2H-pyran-2-yl)propan-1-ol;hydrochloride

C8H16ClNO2 — CID 55254468

IUPAC2-amino-3-(3,4-dihydro-2H-pyran-2-yl)propan-1-ol;hydrochloride
SMILESCl.NC(CO)CC1CCC=CO1
InChIInChI=1S/C8H15NO2.ClH/c9-7(6-10)5-8-3-1-2-4-11-8;/h2,4,7-8,10H,1,3,5-6,9H2;1H
InChIKeyOOAMEIWBDKBSFD-UHFFFAOYSA-N
MW193.67 g/mol
LogP0.81
Rot. Bonds3

About 2-amino-3-(3,4-dihydro-2H-pyran-2-yl)propan-1-ol;hydrochloride

2-amino-3-(3,4-dihydro-2H-pyran-2-yl)propan-1-ol;hydrochloride (PubChem CID 55254468) has the molecular formula C8H16ClNO2 and a molecular weight of 193.67 g/mol. Its IUPAC name is 2-amino-3-(3,4-dihydro-2H-pyran-2-yl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-3-(3,4-dihydro-2H-pyran-2-yl)propan-1-ol;hydrochloride
PubChem CID55254468
Molecular FormulaC8H16ClNO2
Molecular Weight193.67 g/mol
Exact Mass193.09
IUPAC Name2-amino-3-(3,4-dihydro-2H-pyran-2-yl)propan-1-ol;hydrochloride
SMILESCl.NC(CO)CC1CCC=CO1
InChIInChI=1S/C8H15NO2.ClH/c9-7(6-10)5-8-3-1-2-4-11-8;/h2,4,7-8,10H,1,3,5-6,9H2;1H
InChIKeyOOAMEIWBDKBSFD-UHFFFAOYSA-N
XLogP0.81
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.67
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(3,4-dihydro-2H-pyran-5-yl)propan-1-ol;hydrochloride
CID 55254053
2-amino-3-(3,4-dihydro-2H-pyran-2-yl)propan-1-ol
CID 55254469
3-amino-3-(3,4-dihydro-2H-pyran-2-yl)propan-1-ol;hydrochloride
CID 55255824
3-amino-3-(3,4-dihydro-2H-pyran-2-yl)propan-1-ol
CID 55255825

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3,4-dihydro-2H-pyran-2-yl)propan-1-ol;hydrochloride?
The IUPAC name of 2-amino-3-(3,4-dihydro-2H-pyran-2-yl)propan-1-ol;hydrochloride (CID 55254468) is 2-amino-3-(3,4-dihydro-2H-pyran-2-yl)propan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-3-(3,4-dihydro-2H-pyran-2-yl)propan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-3-(3,4-dihydro-2H-pyran-2-yl)propan-1-ol;hydrochloride is Cl.NC(CO)CC1CCC=CO1.
What is the InChIKey of 2-amino-3-(3,4-dihydro-2H-pyran-2-yl)propan-1-ol;hydrochloride?
The InChIKey is OOAMEIWBDKBSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.ClH/c9-7(6-10)5-8-3-1-2-4-11-8;/h2,4,7-8,10H,1,3,5-6,9H2;1H.
What are the key properties of 2-amino-3-(3,4-dihydro-2H-pyran-2-yl)propan-1-ol;hydrochloride?
2-amino-3-(3,4-dihydro-2H-pyran-2-yl)propan-1-ol;hydrochloride has a molecular weight of 193.67 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3,4-dihydro-2H-pyran-2-yl)propan-1-ol;hydrochloride is sourced from PubChem (CID 55254468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).