2-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethyl]cyclopentan-1-one

C13H23NO3 — CID 102933584

IUPAC2-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethyl]cyclopentan-1-one
SMILESCC1CN(CCC2CCCC2=O)CC(CO)O1
InChIInChI=1S/C13H23NO3/c1-10-7-14(8-12(9-15)17-10)6-5-11-3-2-4-13(11)16/h10-12,15H,2-9H2,1H3
InChIKeyNUUYANFCRRPMQB-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.83
Rot. Bonds4

About 2-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethyl]cyclopentan-1-one

2-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethyl]cyclopentan-1-one (PubChem CID 102933584) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethyl]cyclopentan-1-one
PubChem CID102933584
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethyl]cyclopentan-1-one
SMILESCC1CN(CCC2CCCC2=O)CC(CO)O1
InChIInChI=1S/C13H23NO3/c1-10-7-14(8-12(9-15)17-10)6-5-11-3-2-4-13(11)16/h10-12,15H,2-9H2,1H3
InChIKeyNUUYANFCRRPMQB-UHFFFAOYSA-N
XLogP0.83
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethyl]cyclopentan-1-one?
The IUPAC name of 2-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethyl]cyclopentan-1-one (CID 102933584) is 2-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethyl]cyclopentan-1-one.
What is the SMILES notation for 2-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethyl]cyclopentan-1-one?
The canonical SMILES for 2-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethyl]cyclopentan-1-one is CC1CN(CCC2CCCC2=O)CC(CO)O1.
What is the InChIKey of 2-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethyl]cyclopentan-1-one?
The InChIKey is NUUYANFCRRPMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-10-7-14(8-12(9-15)17-10)6-5-11-3-2-4-13(11)16/h10-12,15H,2-9H2,1H3.
What are the key properties of 2-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethyl]cyclopentan-1-one?
2-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethyl]cyclopentan-1-one has a molecular weight of 241.33 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethyl]cyclopentan-1-one is sourced from PubChem (CID 102933584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).