2-[(3-methylphenyl)methyl]morpholin-3-one

C12H15NO2 — CID 154999733

IUPAC2-[(3-methylphenyl)methyl]morpholin-3-one
SMILESCc1cccc(CC2OCCNC2=O)c1
InChIInChI=1S/C12H15NO2/c1-9-3-2-4-10(7-9)8-11-12(14)13-5-6-15-11/h2-4,7,11H,5-6,8H2,1H3,(H,13,14)
InChIKeyRQDVRGWRLIHTLY-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.05
Rot. Bonds2

About 2-[(3-methylphenyl)methyl]morpholin-3-one

2-[(3-methylphenyl)methyl]morpholin-3-one (PubChem CID 154999733) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-[(3-methylphenyl)methyl]morpholin-3-one.

Molecular Properties

Compound Name2-[(3-methylphenyl)methyl]morpholin-3-one
PubChem CID154999733
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-[(3-methylphenyl)methyl]morpholin-3-one
SMILESCc1cccc(CC2OCCNC2=O)c1
InChIInChI=1S/C12H15NO2/c1-9-3-2-4-10(7-9)8-11-12(14)13-5-6-15-11/h2-4,7,11H,5-6,8H2,1H3,(H,13,14)
InChIKeyRQDVRGWRLIHTLY-UHFFFAOYSA-N
XLogP1.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylphenyl)methyl]morpholin-3-one?
The IUPAC name of 2-[(3-methylphenyl)methyl]morpholin-3-one (CID 154999733) is 2-[(3-methylphenyl)methyl]morpholin-3-one.
What is the SMILES notation for 2-[(3-methylphenyl)methyl]morpholin-3-one?
The canonical SMILES for 2-[(3-methylphenyl)methyl]morpholin-3-one is Cc1cccc(CC2OCCNC2=O)c1.
What is the InChIKey of 2-[(3-methylphenyl)methyl]morpholin-3-one?
The InChIKey is RQDVRGWRLIHTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-9-3-2-4-10(7-9)8-11-12(14)13-5-6-15-11/h2-4,7,11H,5-6,8H2,1H3,(H,13,14).
What are the key properties of 2-[(3-methylphenyl)methyl]morpholin-3-one?
2-[(3-methylphenyl)methyl]morpholin-3-one has a molecular weight of 205.26 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylphenyl)methyl]morpholin-3-one is sourced from PubChem (CID 154999733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).