6-(3-chlorophenyl)morpholin-3-one

C10H10ClNO2 — CID 102555154

IUPAC6-(3-chlorophenyl)morpholin-3-one
SMILESO=C1COC(c2cccc(Cl)c2)CN1
InChIInChI=1S/C10H10ClNO2/c11-8-3-1-2-7(4-8)9-5-12-10(13)6-14-9/h1-4,9H,5-6H2,(H,12,13)
InChIKeyCPTVUNGJWARTTL-UHFFFAOYSA-N
MW211.65 g/mol
LogP1.53
Rot. Bonds1

About 6-(3-chlorophenyl)morpholin-3-one

6-(3-chlorophenyl)morpholin-3-one (PubChem CID 102555154) has the molecular formula C10H10ClNO2 and a molecular weight of 211.65 g/mol. Its IUPAC name is 6-(3-chlorophenyl)morpholin-3-one.

Molecular Properties

Compound Name6-(3-chlorophenyl)morpholin-3-one
PubChem CID102555154
Molecular FormulaC10H10ClNO2
Molecular Weight211.65 g/mol
Exact Mass211.04
IUPAC Name6-(3-chlorophenyl)morpholin-3-one
SMILESO=C1COC(c2cccc(Cl)c2)CN1
InChIInChI=1S/C10H10ClNO2/c11-8-3-1-2-7(4-8)9-5-12-10(13)6-14-9/h1-4,9H,5-6H2,(H,12,13)
InChIKeyCPTVUNGJWARTTL-UHFFFAOYSA-N
XLogP1.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.65
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(3-chlorophenyl)morpholin-3-one?
The IUPAC name of 6-(3-chlorophenyl)morpholin-3-one (CID 102555154) is 6-(3-chlorophenyl)morpholin-3-one.
What is the SMILES notation for 6-(3-chlorophenyl)morpholin-3-one?
The canonical SMILES for 6-(3-chlorophenyl)morpholin-3-one is O=C1COC(c2cccc(Cl)c2)CN1.
What is the InChIKey of 6-(3-chlorophenyl)morpholin-3-one?
The InChIKey is CPTVUNGJWARTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO2/c11-8-3-1-2-7(4-8)9-5-12-10(13)6-14-9/h1-4,9H,5-6H2,(H,12,13).
What are the key properties of 6-(3-chlorophenyl)morpholin-3-one?
6-(3-chlorophenyl)morpholin-3-one has a molecular weight of 211.65 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chlorophenyl)morpholin-3-one is sourced from PubChem (CID 102555154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).