2-cyclohexyl-1-[3-(hydroxymethyl)morpholin-4-yl]ethanone

C13H23NO3 — CID 71785794

IUPAC2-cyclohexyl-1-[3-(hydroxymethyl)morpholin-4-yl]ethanone
SMILESO=C(CC1CCCCC1)N1CCOCC1CO
InChIInChI=1S/C13H23NO3/c15-9-12-10-17-7-6-14(12)13(16)8-11-4-2-1-3-5-11/h11-12,15H,1-10H2
InChIKeyDNRSPKBTRQVRSC-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.18
Rot. Bonds3

About 2-cyclohexyl-1-[3-(hydroxymethyl)morpholin-4-yl]ethanone

2-cyclohexyl-1-[3-(hydroxymethyl)morpholin-4-yl]ethanone (PubChem CID 71785794) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-cyclohexyl-1-[3-(hydroxymethyl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-[3-(hydroxymethyl)morpholin-4-yl]ethanone
PubChem CID71785794
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2-cyclohexyl-1-[3-(hydroxymethyl)morpholin-4-yl]ethanone
SMILESO=C(CC1CCCCC1)N1CCOCC1CO
InChIInChI=1S/C13H23NO3/c15-9-12-10-17-7-6-14(12)13(16)8-11-4-2-1-3-5-11/h11-12,15H,1-10H2
InChIKeyDNRSPKBTRQVRSC-UHFFFAOYSA-N
XLogP1.18
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-[3-(hydroxymethyl)morpholin-4-yl]ethanone?
The IUPAC name of 2-cyclohexyl-1-[3-(hydroxymethyl)morpholin-4-yl]ethanone (CID 71785794) is 2-cyclohexyl-1-[3-(hydroxymethyl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-cyclohexyl-1-[3-(hydroxymethyl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-cyclohexyl-1-[3-(hydroxymethyl)morpholin-4-yl]ethanone is O=C(CC1CCCCC1)N1CCOCC1CO.
What is the InChIKey of 2-cyclohexyl-1-[3-(hydroxymethyl)morpholin-4-yl]ethanone?
The InChIKey is DNRSPKBTRQVRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c15-9-12-10-17-7-6-14(12)13(16)8-11-4-2-1-3-5-11/h11-12,15H,1-10H2.
What are the key properties of 2-cyclohexyl-1-[3-(hydroxymethyl)morpholin-4-yl]ethanone?
2-cyclohexyl-1-[3-(hydroxymethyl)morpholin-4-yl]ethanone has a molecular weight of 241.33 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-[3-(hydroxymethyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 71785794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).