2-(morpholin-4-ylmethyl)pyran-4-one;dihydrochloride

C10H15Cl2NO3 — CID 87246581

IUPAC2-(morpholin-4-ylmethyl)pyran-4-one;dihydrochloride
SMILESCl.Cl.O=c1ccoc(CN2CCOCC2)c1
InChIInChI=1S/C10H13NO3.2ClH/c12-9-1-4-14-10(7-9)8-11-2-5-13-6-3-11;;/h1,4,7H,2-3,5-6,8H2;2*1H
InChIKeyHLNXCRWNTINDFQ-UHFFFAOYSA-N
MW268.14 g/mol
LogP1.32
Rot. Bonds2

About 2-(morpholin-4-ylmethyl)pyran-4-one;dihydrochloride

2-(morpholin-4-ylmethyl)pyran-4-one;dihydrochloride (PubChem CID 87246581) has the molecular formula C10H15Cl2NO3 and a molecular weight of 268.14 g/mol. Its IUPAC name is 2-(morpholin-4-ylmethyl)pyran-4-one;dihydrochloride.

Molecular Properties

Compound Name2-(morpholin-4-ylmethyl)pyran-4-one;dihydrochloride
PubChem CID87246581
Molecular FormulaC10H15Cl2NO3
Molecular Weight268.14 g/mol
Exact Mass267.04
IUPAC Name2-(morpholin-4-ylmethyl)pyran-4-one;dihydrochloride
SMILESCl.Cl.O=c1ccoc(CN2CCOCC2)c1
InChIInChI=1S/C10H13NO3.2ClH/c12-9-1-4-14-10(7-9)8-11-2-5-13-6-3-11;;/h1,4,7H,2-3,5-6,8H2;2*1H
InChIKeyHLNXCRWNTINDFQ-UHFFFAOYSA-N
XLogP1.32
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.14
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(morpholin-4-ylmethyl)pyran-4-one;dihydrochloride?
The IUPAC name of 2-(morpholin-4-ylmethyl)pyran-4-one;dihydrochloride (CID 87246581) is 2-(morpholin-4-ylmethyl)pyran-4-one;dihydrochloride.
What is the SMILES notation for 2-(morpholin-4-ylmethyl)pyran-4-one;dihydrochloride?
The canonical SMILES for 2-(morpholin-4-ylmethyl)pyran-4-one;dihydrochloride is Cl.Cl.O=c1ccoc(CN2CCOCC2)c1.
What is the InChIKey of 2-(morpholin-4-ylmethyl)pyran-4-one;dihydrochloride?
The InChIKey is HLNXCRWNTINDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3.2ClH/c12-9-1-4-14-10(7-9)8-11-2-5-13-6-3-11;;/h1,4,7H,2-3,5-6,8H2;2*1H.
What are the key properties of 2-(morpholin-4-ylmethyl)pyran-4-one;dihydrochloride?
2-(morpholin-4-ylmethyl)pyran-4-one;dihydrochloride has a molecular weight of 268.14 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-4-ylmethyl)pyran-4-one;dihydrochloride is sourced from PubChem (CID 87246581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).