1-morpholin-4-ylpropan-2-yl acetate

C9H17NO3 — CID 22706844

IUPAC1-morpholin-4-ylpropan-2-yl acetate
SMILESCC(=O)OC(C)CN1CCOCC1
InChIInChI=1S/C9H17NO3/c1-8(13-9(2)11)7-10-3-5-12-6-4-10/h8H,3-7H2,1-2H3
InChIKeyGHAXYOUATULXSS-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.27
Rot. Bonds3

About 1-morpholin-4-ylpropan-2-yl acetate

1-morpholin-4-ylpropan-2-yl acetate (PubChem CID 22706844) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-morpholin-4-ylpropan-2-yl acetate.

Molecular Properties

Compound Name1-morpholin-4-ylpropan-2-yl acetate
PubChem CID22706844
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name1-morpholin-4-ylpropan-2-yl acetate
SMILESCC(=O)OC(C)CN1CCOCC1
InChIInChI=1S/C9H17NO3/c1-8(13-9(2)11)7-10-3-5-12-6-4-10/h8H,3-7H2,1-2H3
InChIKeyGHAXYOUATULXSS-UHFFFAOYSA-N
XLogP0.27
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methacholine Chloride
CID 6114
Methacholine
CID 1993
Methacholine bromide
CID 92754
Methacholine iodide
CID 3083639
Ethyl 4-morpholinepropionate
CID 88374
4-Morpholinepropanoic acid, alpha-methyl-, methyl ester
CID 89273
4-Morpholinepropanoic acid, methyl ester
CID 101373
1-(Dimethylamino)propan-2-yl acetate
CID 253127
1-Piperidineacetic acid, ethyl ester
CID 643466
Ethyl 2,6-dimethyl-4-morpholinepropionate
CID 98759
AC1Ofcm0
CID 7048706
Lopac-A-2251
CID 6603706

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-ylpropan-2-yl acetate?
The IUPAC name of 1-morpholin-4-ylpropan-2-yl acetate (CID 22706844) is 1-morpholin-4-ylpropan-2-yl acetate.
What is the SMILES notation for 1-morpholin-4-ylpropan-2-yl acetate?
The canonical SMILES for 1-morpholin-4-ylpropan-2-yl acetate is CC(=O)OC(C)CN1CCOCC1.
What is the InChIKey of 1-morpholin-4-ylpropan-2-yl acetate?
The InChIKey is GHAXYOUATULXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-8(13-9(2)11)7-10-3-5-12-6-4-10/h8H,3-7H2,1-2H3.
What are the key properties of 1-morpholin-4-ylpropan-2-yl acetate?
1-morpholin-4-ylpropan-2-yl acetate has a molecular weight of 187.24 g/mol, XLogP of 0.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-ylpropan-2-yl acetate is sourced from PubChem (CID 22706844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).