(2-cyclobutylphenyl)-(4-methylmorpholin-2-yl)methanone

C16H21NO2 — CID 114601968

IUPAC(2-cyclobutylphenyl)-(4-methylmorpholin-2-yl)methanone
SMILESCN1CCOC(C(=O)c2ccccc2C2CCC2)C1
InChIInChI=1S/C16H21NO2/c1-17-9-10-19-15(11-17)16(18)14-8-3-2-7-13(14)12-5-4-6-12/h2-3,7-8,12,15H,4-6,9-11H2,1H3
InChIKeyVFXQVTPIYVSJEJ-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.47
Rot. Bonds3

About (2-cyclobutylphenyl)-(4-methylmorpholin-2-yl)methanone

(2-cyclobutylphenyl)-(4-methylmorpholin-2-yl)methanone (PubChem CID 114601968) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is (2-cyclobutylphenyl)-(4-methylmorpholin-2-yl)methanone.

Molecular Properties

Compound Name(2-cyclobutylphenyl)-(4-methylmorpholin-2-yl)methanone
PubChem CID114601968
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name(2-cyclobutylphenyl)-(4-methylmorpholin-2-yl)methanone
SMILESCN1CCOC(C(=O)c2ccccc2C2CCC2)C1
InChIInChI=1S/C16H21NO2/c1-17-9-10-19-15(11-17)16(18)14-8-3-2-7-13(14)12-5-4-6-12/h2-3,7-8,12,15H,4-6,9-11H2,1H3
InChIKeyVFXQVTPIYVSJEJ-UHFFFAOYSA-N
XLogP2.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-cyclobutylphenyl)-(4-methylmorpholin-2-yl)methanone?
The IUPAC name of (2-cyclobutylphenyl)-(4-methylmorpholin-2-yl)methanone (CID 114601968) is (2-cyclobutylphenyl)-(4-methylmorpholin-2-yl)methanone.
What is the SMILES notation for (2-cyclobutylphenyl)-(4-methylmorpholin-2-yl)methanone?
The canonical SMILES for (2-cyclobutylphenyl)-(4-methylmorpholin-2-yl)methanone is CN1CCOC(C(=O)c2ccccc2C2CCC2)C1.
What is the InChIKey of (2-cyclobutylphenyl)-(4-methylmorpholin-2-yl)methanone?
The InChIKey is VFXQVTPIYVSJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-17-9-10-19-15(11-17)16(18)14-8-3-2-7-13(14)12-5-4-6-12/h2-3,7-8,12,15H,4-6,9-11H2,1H3.
What are the key properties of (2-cyclobutylphenyl)-(4-methylmorpholin-2-yl)methanone?
(2-cyclobutylphenyl)-(4-methylmorpholin-2-yl)methanone has a molecular weight of 259.35 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclobutylphenyl)-(4-methylmorpholin-2-yl)methanone is sourced from PubChem (CID 114601968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).