2-chloro-6-morpholin-4-ylpyran-4-one;ethane

C11H16ClNO3 — CID 142221667

IUPAC2-chloro-6-morpholin-4-ylpyran-4-one;ethane
SMILESCC.O=c1cc(Cl)oc(N2CCOCC2)c1
InChIInChI=1S/C9H10ClNO3.C2H6/c10-8-5-7(12)6-9(14-8)11-1-3-13-4-2-11;1-2/h5-6H,1-4H2;1-2H3
InChIKeyQITIGNCTUQYOFL-UHFFFAOYSA-N
MW245.71 g/mol
LogP2.16
Rot. Bonds1

About 2-chloro-6-morpholin-4-ylpyran-4-one;ethane

2-chloro-6-morpholin-4-ylpyran-4-one;ethane (PubChem CID 142221667) has the molecular formula C11H16ClNO3 and a molecular weight of 245.71 g/mol. Its IUPAC name is 2-chloro-6-morpholin-4-ylpyran-4-one;ethane.

Molecular Properties

Compound Name2-chloro-6-morpholin-4-ylpyran-4-one;ethane
PubChem CID142221667
Molecular FormulaC11H16ClNO3
Molecular Weight245.71 g/mol
Exact Mass245.08
IUPAC Name2-chloro-6-morpholin-4-ylpyran-4-one;ethane
SMILESCC.O=c1cc(Cl)oc(N2CCOCC2)c1
InChIInChI=1S/C9H10ClNO3.C2H6/c10-8-5-7(12)6-9(14-8)11-1-3-13-4-2-11;1-2/h5-6H,1-4H2;1-2H3
InChIKeyQITIGNCTUQYOFL-UHFFFAOYSA-N
XLogP2.16
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-morpholin-4-yl-6-phenylpyran-4-one
CID 10923175
2-[4-(6-morpholin-4-yl-4-oxopyran-2-yl)phenyl]benzaldehyde
CID 21106421
2-morpholin-4-yl-6-phenoxathiin-4-ylpyran-4-one
CID 22139452
8-methyl-2-morpholin-4-ylchromen-4-one
CID 10083230
ethane;5-morpholin-4-yl-3-propan-2-ylthieno[3,2-b]pyran-7-one
CID 142505811
2-[3-methyl-2-(2-methylphenyl)sulfanylphenyl]-6-morpholin-4-ylpyran-4-one;propane
CID 144862282
sodium;methyl 3-(6-morpholin-4-yl-4-oxopyran-2-yl)benzoate;3-(6-morpholin-4-yl-4-oxopyran-2-yl)benzoate
CID 159903419
ethane;5-morpholin-4-yl-3-phenylthieno[3,2-b]pyran-7-one
CID 143839150
prop-1-en-2-yl N-[3-(6-morpholin-4-yl-4-oxopyran-2-yl)phenyl]carbamate
CID 89093175
8-acetyl-2-morpholin-4-yl-4-oxochromene-6-carboxylic acid
CID 58234981
8-(2-methylphenyl)-2-morpholin-4-ylchromen-4-one
CID 23586698
methyl methanesulfonate;2-morpholin-4-ylchromen-4-one
CID 91025278

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-morpholin-4-ylpyran-4-one;ethane?
The IUPAC name of 2-chloro-6-morpholin-4-ylpyran-4-one;ethane (CID 142221667) is 2-chloro-6-morpholin-4-ylpyran-4-one;ethane.
What is the SMILES notation for 2-chloro-6-morpholin-4-ylpyran-4-one;ethane?
The canonical SMILES for 2-chloro-6-morpholin-4-ylpyran-4-one;ethane is CC.O=c1cc(Cl)oc(N2CCOCC2)c1.
What is the InChIKey of 2-chloro-6-morpholin-4-ylpyran-4-one;ethane?
The InChIKey is QITIGNCTUQYOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO3.C2H6/c10-8-5-7(12)6-9(14-8)11-1-3-13-4-2-11;1-2/h5-6H,1-4H2;1-2H3.
What are the key properties of 2-chloro-6-morpholin-4-ylpyran-4-one;ethane?
2-chloro-6-morpholin-4-ylpyran-4-one;ethane has a molecular weight of 245.71 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-morpholin-4-ylpyran-4-one;ethane is sourced from PubChem (CID 142221667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).