5-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]-2,2-dimethylcyclopentan-1-one

C14H25NO3 — CID 102936279

IUPAC5-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]-2,2-dimethylcyclopentan-1-one
SMILESCC1CN(CC2CCC(C)(C)C2=O)CC(CO)O1
InChIInChI=1S/C14H25NO3/c1-10-6-15(8-12(9-16)18-10)7-11-4-5-14(2,3)13(11)17/h10-12,16H,4-9H2,1-3H3
InChIKeyFVAIUDNEYIADCK-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.07
Rot. Bonds3

About 5-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]-2,2-dimethylcyclopentan-1-one

5-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]-2,2-dimethylcyclopentan-1-one (PubChem CID 102936279) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 5-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]-2,2-dimethylcyclopentan-1-one.

Molecular Properties

Compound Name5-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]-2,2-dimethylcyclopentan-1-one
PubChem CID102936279
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name5-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]-2,2-dimethylcyclopentan-1-one
SMILESCC1CN(CC2CCC(C)(C)C2=O)CC(CO)O1
InChIInChI=1S/C14H25NO3/c1-10-6-15(8-12(9-16)18-10)7-11-4-5-14(2,3)13(11)17/h10-12,16H,4-9H2,1-3H3
InChIKeyFVAIUDNEYIADCK-UHFFFAOYSA-N
XLogP1.07
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]-2,2-dimethylcyclopentan-1-one?
The IUPAC name of 5-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]-2,2-dimethylcyclopentan-1-one (CID 102936279) is 5-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]-2,2-dimethylcyclopentan-1-one.
What is the SMILES notation for 5-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]-2,2-dimethylcyclopentan-1-one?
The canonical SMILES for 5-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]-2,2-dimethylcyclopentan-1-one is CC1CN(CC2CCC(C)(C)C2=O)CC(CO)O1.
What is the InChIKey of 5-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]-2,2-dimethylcyclopentan-1-one?
The InChIKey is FVAIUDNEYIADCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-10-6-15(8-12(9-16)18-10)7-11-4-5-14(2,3)13(11)17/h10-12,16H,4-9H2,1-3H3.
What are the key properties of 5-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]-2,2-dimethylcyclopentan-1-one?
5-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]-2,2-dimethylcyclopentan-1-one has a molecular weight of 255.36 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methyl]-2,2-dimethylcyclopentan-1-one is sourced from PubChem (CID 102936279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).