2-(cyclopropylmethoxy)-1-(2,2,6-trimethylmorpholin-4-yl)propan-1-one

C14H25NO3 — CID 48690710

IUPAC2-(cyclopropylmethoxy)-1-(2,2,6-trimethylmorpholin-4-yl)propan-1-one
SMILESCC1CN(C(=O)C(C)OCC2CC2)CC(C)(C)O1
InChIInChI=1S/C14H25NO3/c1-10-7-15(9-14(3,4)18-10)13(16)11(2)17-8-12-5-6-12/h10-12H,5-9H2,1-4H3
InChIKeyCAOOUBHWDNHGKX-UHFFFAOYSA-N
MW255.36 g/mol
LogP1.83
Rot. Bonds4

About 2-(cyclopropylmethoxy)-1-(2,2,6-trimethylmorpholin-4-yl)propan-1-one

2-(cyclopropylmethoxy)-1-(2,2,6-trimethylmorpholin-4-yl)propan-1-one (PubChem CID 48690710) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-1-(2,2,6-trimethylmorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-1-(2,2,6-trimethylmorpholin-4-yl)propan-1-one
PubChem CID48690710
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2-(cyclopropylmethoxy)-1-(2,2,6-trimethylmorpholin-4-yl)propan-1-one
SMILESCC1CN(C(=O)C(C)OCC2CC2)CC(C)(C)O1
InChIInChI=1S/C14H25NO3/c1-10-7-15(9-14(3,4)18-10)13(16)11(2)17-8-12-5-6-12/h10-12H,5-9H2,1-4H3
InChIKeyCAOOUBHWDNHGKX-UHFFFAOYSA-N
XLogP1.83
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-1-(2,2,6-trimethylmorpholin-4-yl)propan-1-one?
The IUPAC name of 2-(cyclopropylmethoxy)-1-(2,2,6-trimethylmorpholin-4-yl)propan-1-one (CID 48690710) is 2-(cyclopropylmethoxy)-1-(2,2,6-trimethylmorpholin-4-yl)propan-1-one.
What is the SMILES notation for 2-(cyclopropylmethoxy)-1-(2,2,6-trimethylmorpholin-4-yl)propan-1-one?
The canonical SMILES for 2-(cyclopropylmethoxy)-1-(2,2,6-trimethylmorpholin-4-yl)propan-1-one is CC1CN(C(=O)C(C)OCC2CC2)CC(C)(C)O1.
What is the InChIKey of 2-(cyclopropylmethoxy)-1-(2,2,6-trimethylmorpholin-4-yl)propan-1-one?
The InChIKey is CAOOUBHWDNHGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-10-7-15(9-14(3,4)18-10)13(16)11(2)17-8-12-5-6-12/h10-12H,5-9H2,1-4H3.
What are the key properties of 2-(cyclopropylmethoxy)-1-(2,2,6-trimethylmorpholin-4-yl)propan-1-one?
2-(cyclopropylmethoxy)-1-(2,2,6-trimethylmorpholin-4-yl)propan-1-one has a molecular weight of 255.36 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-1-(2,2,6-trimethylmorpholin-4-yl)propan-1-one is sourced from PubChem (CID 48690710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).