1-morpholin-4-ylcyclohexane-1-carbonitrile

C11H18N2O — CID 766257

IUPAC1-morpholin-4-ylcyclohexane-1-carbonitrile
SMILESN#CC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C11H18N2O/c12-10-11(4-2-1-3-5-11)13-6-8-14-9-7-13/h1-9H2
InChIKeyNOOGGLVJRULEIG-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.55
Rot. Bonds1

About 1-morpholin-4-ylcyclohexane-1-carbonitrile

1-morpholin-4-ylcyclohexane-1-carbonitrile (PubChem CID 766257) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-morpholin-4-ylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-morpholin-4-ylcyclohexane-1-carbonitrile
PubChem CID766257
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name1-morpholin-4-ylcyclohexane-1-carbonitrile
SMILESN#CC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C11H18N2O/c12-10-11(4-2-1-3-5-11)13-6-8-14-9-7-13/h1-9H2
InChIKeyNOOGGLVJRULEIG-UHFFFAOYSA-N
XLogP1.55
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ylcyclohexane-1-carbonitrile?
The IUPAC name of 1-morpholin-4-ylcyclohexane-1-carbonitrile (CID 766257) is 1-morpholin-4-ylcyclohexane-1-carbonitrile.
What is the SMILES notation for 1-morpholin-4-ylcyclohexane-1-carbonitrile?
The canonical SMILES for 1-morpholin-4-ylcyclohexane-1-carbonitrile is N#CC1(N2CCOCC2)CCCCC1.
What is the InChIKey of 1-morpholin-4-ylcyclohexane-1-carbonitrile?
The InChIKey is NOOGGLVJRULEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c12-10-11(4-2-1-3-5-11)13-6-8-14-9-7-13/h1-9H2.
What are the key properties of 1-morpholin-4-ylcyclohexane-1-carbonitrile?
1-morpholin-4-ylcyclohexane-1-carbonitrile has a molecular weight of 194.28 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ylcyclohexane-1-carbonitrile is sourced from PubChem (CID 766257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).