3-(6-methylmorpholin-2-yl)benzonitrile

C12H14N2O — CID 63991339

IUPAC3-(6-methylmorpholin-2-yl)benzonitrile
SMILESCC1CNCC(c2cccc(C#N)c2)O1
InChIInChI=1S/C12H14N2O/c1-9-7-14-8-12(15-9)11-4-2-3-10(5-11)6-13/h2-5,9,12,14H,7-8H2,1H3
InChIKeyVQYQSPQIEDNTIO-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.61
Rot. Bonds1

About 3-(6-methylmorpholin-2-yl)benzonitrile

3-(6-methylmorpholin-2-yl)benzonitrile (PubChem CID 63991339) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 3-(6-methylmorpholin-2-yl)benzonitrile.

Molecular Properties

Compound Name3-(6-methylmorpholin-2-yl)benzonitrile
PubChem CID63991339
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name3-(6-methylmorpholin-2-yl)benzonitrile
SMILESCC1CNCC(c2cccc(C#N)c2)O1
InChIInChI=1S/C12H14N2O/c1-9-7-14-8-12(15-9)11-4-2-3-10(5-11)6-13/h2-5,9,12,14H,7-8H2,1H3
InChIKeyVQYQSPQIEDNTIO-UHFFFAOYSA-N
XLogP1.61
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-propan-2-ylmorpholin-2-yl)benzonitrile
CID 113492576
3-[6-(2,2-dimethylpropyl)morpholin-2-yl]benzonitrile
CID 107155080
(2S,6S)-2-(3-chlorophenyl)-6-methylmorpholine
CID 39243005
(2R,6R)-2-(3-chlorophenyl)-6-methylmorpholine
CID 39242999
(2S,6S)-2-methyl-6-phenylmorpholine
CID 36689632
3-(6,6-dimethylmorpholin-2-yl)benzonitrile
CID 65102041
3-[(2S)-oxiran-2-yl]benzonitrile
CID 53471231
(2S,6R)-2-methyl-6-(2-methyl-4-pyridinyl)morpholine
CID 170711883
2-methyl-6-(4-phenylphenyl)morpholine
CID 43367004
3-pyrrolidin-3-ylbenzonitrile;hydrochloride
CID 139593331
3-(2,2-dimethyl-1,3-dioxolan-4-yl)benzonitrile
CID 117291540
(2R,6R)-2-methyl-6-(3-pyridazin-3-yloxyphenyl)morpholine
CID 171653267

Frequently Asked Questions

What is the IUPAC name of 3-(6-methylmorpholin-2-yl)benzonitrile?
The IUPAC name of 3-(6-methylmorpholin-2-yl)benzonitrile (CID 63991339) is 3-(6-methylmorpholin-2-yl)benzonitrile.
What is the SMILES notation for 3-(6-methylmorpholin-2-yl)benzonitrile?
The canonical SMILES for 3-(6-methylmorpholin-2-yl)benzonitrile is CC1CNCC(c2cccc(C#N)c2)O1.
What is the InChIKey of 3-(6-methylmorpholin-2-yl)benzonitrile?
The InChIKey is VQYQSPQIEDNTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-9-7-14-8-12(15-9)11-4-2-3-10(5-11)6-13/h2-5,9,12,14H,7-8H2,1H3.
What are the key properties of 3-(6-methylmorpholin-2-yl)benzonitrile?
3-(6-methylmorpholin-2-yl)benzonitrile has a molecular weight of 202.26 g/mol, XLogP of 1.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methylmorpholin-2-yl)benzonitrile is sourced from PubChem (CID 63991339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).