1-morpholin-4-ylcyclohexane-1-carbonitrile;hydrochloride

C11H19ClN2O — CID 3055640

IUPAC1-morpholin-4-ylcyclohexane-1-carbonitrile;hydrochloride
SMILESCl.N#CC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C11H18N2O.ClH/c12-10-11(4-2-1-3-5-11)13-6-8-14-9-7-13;/h1-9H2;1H
InChIKeyPRXWYDQWQOOYPI-UHFFFAOYSA-N
MW230.74 g/mol
LogP1.97
Rot. Bonds1

About 1-morpholin-4-ylcyclohexane-1-carbonitrile;hydrochloride

1-morpholin-4-ylcyclohexane-1-carbonitrile;hydrochloride (PubChem CID 3055640) has the molecular formula C11H19ClN2O and a molecular weight of 230.74 g/mol. Its IUPAC name is 1-morpholin-4-ylcyclohexane-1-carbonitrile;hydrochloride.

Molecular Properties

Compound Name1-morpholin-4-ylcyclohexane-1-carbonitrile;hydrochloride
PubChem CID3055640
Molecular FormulaC11H19ClN2O
Molecular Weight230.74 g/mol
Exact Mass230.12
IUPAC Name1-morpholin-4-ylcyclohexane-1-carbonitrile;hydrochloride
SMILESCl.N#CC1(N2CCOCC2)CCCCC1
InChIInChI=1S/C11H18N2O.ClH/c12-10-11(4-2-1-3-5-11)13-6-8-14-9-7-13;/h1-9H2;1H
InChIKeyPRXWYDQWQOOYPI-UHFFFAOYSA-N
XLogP1.97
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.74
LogP ≤ 51.97
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;hydrochloride?
The IUPAC name of 1-morpholin-4-ylcyclohexane-1-carbonitrile;hydrochloride (CID 3055640) is 1-morpholin-4-ylcyclohexane-1-carbonitrile;hydrochloride.
What is the SMILES notation for 1-morpholin-4-ylcyclohexane-1-carbonitrile;hydrochloride?
The canonical SMILES for 1-morpholin-4-ylcyclohexane-1-carbonitrile;hydrochloride is Cl.N#CC1(N2CCOCC2)CCCCC1.
What is the InChIKey of 1-morpholin-4-ylcyclohexane-1-carbonitrile;hydrochloride?
The InChIKey is PRXWYDQWQOOYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O.ClH/c12-10-11(4-2-1-3-5-11)13-6-8-14-9-7-13;/h1-9H2;1H.
What are the key properties of 1-morpholin-4-ylcyclohexane-1-carbonitrile;hydrochloride?
1-morpholin-4-ylcyclohexane-1-carbonitrile;hydrochloride has a molecular weight of 230.74 g/mol, XLogP of 1.97, 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;hydrochloride is sourced from PubChem (CID 3055640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).