2-methyl-3-morpholin-4-yl-3-oxo-2-phenylpropanenitrile

C14H16N2O2 — CID 14076583

IUPAC2-methyl-3-morpholin-4-yl-3-oxo-2-phenylpropanenitrile
SMILESCC(C#N)(C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C14H16N2O2/c1-14(11-15,12-5-3-2-4-6-12)13(17)16-7-9-18-10-8-16/h2-6H,7-10H2,1H3
InChIKeyKHUDQSAWZJANGT-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.33
Rot. Bonds2

About 2-methyl-3-morpholin-4-yl-3-oxo-2-phenylpropanenitrile

2-methyl-3-morpholin-4-yl-3-oxo-2-phenylpropanenitrile (PubChem CID 14076583) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-methyl-3-morpholin-4-yl-3-oxo-2-phenylpropanenitrile.

Molecular Properties

Compound Name2-methyl-3-morpholin-4-yl-3-oxo-2-phenylpropanenitrile
PubChem CID14076583
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-methyl-3-morpholin-4-yl-3-oxo-2-phenylpropanenitrile
SMILESCC(C#N)(C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C14H16N2O2/c1-14(11-15,12-5-3-2-4-6-12)13(17)16-7-9-18-10-8-16/h2-6H,7-10H2,1H3
InChIKeyKHUDQSAWZJANGT-UHFFFAOYSA-N
XLogP1.33
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-hydrazinyl-1-morpholin-4-yl-2-phenylpropan-1-one
CID 126609472
3-methyl-2-(morpholine-4-carbonylamino)-3-phenylbutanoic acid
CID 14213088
Se-methyl 2-cyano-2-phenylpropaneselenoate
CID 15778728
2-amino-1-[4-(2-morpholin-4-yl-2-oxoethyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 120594799
2-methyl-1-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-phenylpropan-1-one
CID 55496523
2,2-dibromo-1-morpholin-4-yl-3-phenylpropane-1,3-dione
CID 569666
1-(4-benzylpiperidin-1-yl)-2,2-dimethyl-3-morpholin-4-ylpropane-1,3-dione
CID 108959874
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2,2-dimethyl-3-morpholin-4-ylpropane-1,3-dione
CID 108959834
2-methyl-1-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]-2-phenylpropan-1-one
CID 136579803
methyl (2S)-2-(benzhydrylideneamino)-3,3-dimethyl-4-morpholin-4-yl-4-oxo-2-phenylbutanoate
CID 177471493
N-benzyl-2,2-dimethyl-3-morpholin-4-yl-3-oxo-N-phenylpropanamide
CID 108959951
2-methyl-2-(1,4-oxazepane-4-carbonyl)butanenitrile
CID 114291464

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-morpholin-4-yl-3-oxo-2-phenylpropanenitrile?
The IUPAC name of 2-methyl-3-morpholin-4-yl-3-oxo-2-phenylpropanenitrile (CID 14076583) is 2-methyl-3-morpholin-4-yl-3-oxo-2-phenylpropanenitrile.
What is the SMILES notation for 2-methyl-3-morpholin-4-yl-3-oxo-2-phenylpropanenitrile?
The canonical SMILES for 2-methyl-3-morpholin-4-yl-3-oxo-2-phenylpropanenitrile is CC(C#N)(C(=O)N1CCOCC1)c1ccccc1.
What is the InChIKey of 2-methyl-3-morpholin-4-yl-3-oxo-2-phenylpropanenitrile?
The InChIKey is KHUDQSAWZJANGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-14(11-15,12-5-3-2-4-6-12)13(17)16-7-9-18-10-8-16/h2-6H,7-10H2,1H3.
What are the key properties of 2-methyl-3-morpholin-4-yl-3-oxo-2-phenylpropanenitrile?
2-methyl-3-morpholin-4-yl-3-oxo-2-phenylpropanenitrile has a molecular weight of 244.29 g/mol, XLogP of 1.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-morpholin-4-yl-3-oxo-2-phenylpropanenitrile is sourced from PubChem (CID 14076583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).