methyl 4-(4-cyano-3-methylphenyl)morpholine-2-carboxylate

C14H16N2O3 — CID 115534628

IUPACmethyl 4-(4-cyano-3-methylphenyl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(c2ccc(C#N)c(C)c2)CCO1
InChIInChI=1S/C14H16N2O3/c1-10-7-12(4-3-11(10)8-15)16-5-6-19-13(9-16)14(17)18-2/h3-4,7,13H,5-6,9H2,1-2H3
InChIKeySXJCDVOXIOMPMR-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.24
Rot. Bonds2

About methyl 4-(4-cyano-3-methylphenyl)morpholine-2-carboxylate

methyl 4-(4-cyano-3-methylphenyl)morpholine-2-carboxylate (PubChem CID 115534628) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is methyl 4-(4-cyano-3-methylphenyl)morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-cyano-3-methylphenyl)morpholine-2-carboxylate
PubChem CID115534628
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Namemethyl 4-(4-cyano-3-methylphenyl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(c2ccc(C#N)c(C)c2)CCO1
InChIInChI=1S/C14H16N2O3/c1-10-7-12(4-3-11(10)8-15)16-5-6-19-13(9-16)14(17)18-2/h3-4,7,13H,5-6,9H2,1-2H3
InChIKeySXJCDVOXIOMPMR-UHFFFAOYSA-N
XLogP1.24
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-cyano-3-methylphenyl)morpholin-2-yl]acetic acid
CID 81273848
methyl 4-(2-chloro-4-cyanophenyl)morpholine-2-carboxylate
CID 115534640
methyl 4-(3-methoxy-4-nitrophenyl)morpholine-2-carboxylate
CID 79033453
methyl 4-(3-nitrophenyl)morpholine-2-carboxylate
CID 78926285
methyl 2-[4-(4-cyano-3-fluorophenyl)morpholin-2-yl]acetate
CID 115534647
methyl 4-(4-ethylsulfonylphenyl)morpholine-2-carboxylate
CID 115538578
methyl 4-(6-cyano-2-pyridinyl)morpholine-2-carboxylate
CID 78995503
methyl 4-[2-(methylcarbamoyl)-4-pyridinyl]morpholine-2-carboxylate
CID 115538541
methyl 4-(2-methyl-6-nitrophenyl)morpholine-2-carboxylate
CID 78926201
4-(azetidin-1-yl)-2-methylbenzonitrile
CID 126980528
methyl 4-(2-fluoro-4-nitrophenyl)morpholine-2-carboxylate
CID 78926230
4-[4-(methoxymethyl)piperidin-1-yl]-2-methylbenzonitrile
CID 81282003

Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-cyano-3-methylphenyl)morpholine-2-carboxylate?
The IUPAC name of methyl 4-(4-cyano-3-methylphenyl)morpholine-2-carboxylate (CID 115534628) is methyl 4-(4-cyano-3-methylphenyl)morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-(4-cyano-3-methylphenyl)morpholine-2-carboxylate?
The canonical SMILES for methyl 4-(4-cyano-3-methylphenyl)morpholine-2-carboxylate is COC(=O)C1CN(c2ccc(C#N)c(C)c2)CCO1.
What is the InChIKey of methyl 4-(4-cyano-3-methylphenyl)morpholine-2-carboxylate?
The InChIKey is SXJCDVOXIOMPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-10-7-12(4-3-11(10)8-15)16-5-6-19-13(9-16)14(17)18-2/h3-4,7,13H,5-6,9H2,1-2H3.
What are the key properties of methyl 4-(4-cyano-3-methylphenyl)morpholine-2-carboxylate?
methyl 4-(4-cyano-3-methylphenyl)morpholine-2-carboxylate has a molecular weight of 260.29 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-cyano-3-methylphenyl)morpholine-2-carboxylate is sourced from PubChem (CID 115534628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).