6-benzyl-3-chloro-4-morpholin-4-ylpyran-2-one

C16H16ClNO3 — CID 12742080

IUPAC6-benzyl-3-chloro-4-morpholin-4-ylpyran-2-one
SMILESO=c1oc(Cc2ccccc2)cc(N2CCOCC2)c1Cl
InChIInChI=1S/C16H16ClNO3/c17-15-14(18-6-8-20-9-7-18)11-13(21-16(15)19)10-12-4-2-1-3-5-12/h1-5,11H,6-10H2
InChIKeyZKJZILPDTJUXLQ-UHFFFAOYSA-N
MW305.76 g/mol
LogP2.72
Rot. Bonds3

About 6-benzyl-3-chloro-4-morpholin-4-ylpyran-2-one

6-benzyl-3-chloro-4-morpholin-4-ylpyran-2-one (PubChem CID 12742080) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is 6-benzyl-3-chloro-4-morpholin-4-ylpyran-2-one.

Molecular Properties

Compound Name6-benzyl-3-chloro-4-morpholin-4-ylpyran-2-one
PubChem CID12742080
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name6-benzyl-3-chloro-4-morpholin-4-ylpyran-2-one
SMILESO=c1oc(Cc2ccccc2)cc(N2CCOCC2)c1Cl
InChIInChI=1S/C16H16ClNO3/c17-15-14(18-6-8-20-9-7-18)11-13(21-16(15)19)10-12-4-2-1-3-5-12/h1-5,11H,6-10H2
InChIKeyZKJZILPDTJUXLQ-UHFFFAOYSA-N
XLogP2.72
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-3-chloro-4-morpholin-4-ylpyran-2-one?
The IUPAC name of 6-benzyl-3-chloro-4-morpholin-4-ylpyran-2-one (CID 12742080) is 6-benzyl-3-chloro-4-morpholin-4-ylpyran-2-one.
What is the SMILES notation for 6-benzyl-3-chloro-4-morpholin-4-ylpyran-2-one?
The canonical SMILES for 6-benzyl-3-chloro-4-morpholin-4-ylpyran-2-one is O=c1oc(Cc2ccccc2)cc(N2CCOCC2)c1Cl.
What is the InChIKey of 6-benzyl-3-chloro-4-morpholin-4-ylpyran-2-one?
The InChIKey is ZKJZILPDTJUXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c17-15-14(18-6-8-20-9-7-18)11-13(21-16(15)19)10-12-4-2-1-3-5-12/h1-5,11H,6-10H2.
What are the key properties of 6-benzyl-3-chloro-4-morpholin-4-ylpyran-2-one?
6-benzyl-3-chloro-4-morpholin-4-ylpyran-2-one has a molecular weight of 305.76 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-3-chloro-4-morpholin-4-ylpyran-2-one is sourced from PubChem (CID 12742080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).