1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]cyclohexane-1-carbonitrile

C14H22N2O3 — CID 81203042

IUPAC1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]cyclohexane-1-carbonitrile
SMILESCC1COC(CO)CN1C(=O)C1(C#N)CCCCC1
InChIInChI=1S/C14H22N2O3/c1-11-9-19-12(8-17)7-16(11)13(18)14(10-15)5-3-2-4-6-14/h11-12,17H,2-9H2,1H3
InChIKeySIXGCFDKNXYPBL-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.07
Rot. Bonds2

About 1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]cyclohexane-1-carbonitrile

1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]cyclohexane-1-carbonitrile (PubChem CID 81203042) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]cyclohexane-1-carbonitrile
PubChem CID81203042
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]cyclohexane-1-carbonitrile
SMILESCC1COC(CO)CN1C(=O)C1(C#N)CCCCC1
InChIInChI=1S/C14H22N2O3/c1-11-9-19-12(8-17)7-16(11)13(18)14(10-15)5-3-2-4-6-14/h11-12,17H,2-9H2,1H3
InChIKeySIXGCFDKNXYPBL-UHFFFAOYSA-N
XLogP1.07
TPSA73.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]-3-methylcyclobutane-1-carbonitrile
CID 81202775
1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]cycloheptane-1-carbothioamide
CID 81194882
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-[1-(methylamino)cyclohexyl]ethanone
CID 81203030
1-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cycloheptane-1-carbonitrile
CID 102932743
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(2-methylthiolan-2-yl)methanone
CID 81452742
2-[1-(aminomethyl)cyclohexyl]-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]ethanone
CID 104678480
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(methylamino)ethanone
CID 81202762
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-piperidin-1-ylmethanone
CID 81218847
[1-(aminomethyl)-4-methylcyclohexyl]-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 115442462
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetic acid
CID 81208191
N-(1-cyanocyclopentyl)-2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]acetamide
CID 81213090
methyl 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetate
CID 112617487

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]cyclohexane-1-carbonitrile?
The IUPAC name of 1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]cyclohexane-1-carbonitrile (CID 81203042) is 1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]cyclohexane-1-carbonitrile?
The canonical SMILES for 1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]cyclohexane-1-carbonitrile is CC1COC(CO)CN1C(=O)C1(C#N)CCCCC1.
What is the InChIKey of 1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]cyclohexane-1-carbonitrile?
The InChIKey is SIXGCFDKNXYPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-11-9-19-12(8-17)7-16(11)13(18)14(10-15)5-3-2-4-6-14/h11-12,17H,2-9H2,1H3.
What are the key properties of 1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]cyclohexane-1-carbonitrile?
1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]cyclohexane-1-carbonitrile has a molecular weight of 266.34 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]cyclohexane-1-carbonitrile is sourced from PubChem (CID 81203042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).