1-(4-acetylmorpholin-2-yl)ethanone

C8H13NO3 — CID 59110253

IUPAC1-(4-acetylmorpholin-2-yl)ethanone
SMILESCC(=O)C1CN(C(C)=O)CCO1
InChIInChI=1S/C8H13NO3/c1-6(10)8-5-9(7(2)11)3-4-12-8/h8H,3-5H2,1-2H3
InChIKeyMLNFTWRNBYQSQQ-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.18
Rot. Bonds1

About 1-(4-acetylmorpholin-2-yl)ethanone

1-(4-acetylmorpholin-2-yl)ethanone (PubChem CID 59110253) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 1-(4-acetylmorpholin-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-acetylmorpholin-2-yl)ethanone
PubChem CID59110253
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name1-(4-acetylmorpholin-2-yl)ethanone
SMILESCC(=O)C1CN(C(C)=O)CCO1
InChIInChI=1S/C8H13NO3/c1-6(10)8-5-9(7(2)11)3-4-12-8/h8H,3-5H2,1-2H3
InChIKeyMLNFTWRNBYQSQQ-UHFFFAOYSA-N
XLogP-0.18
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetylmorpholine-2-carboxylic acid
CID 20598078
4-acetylmorpholine-2-carboxylic acid;ethane
CID 144675076
1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 170011529
1-[(2S)-2-ethynylmorpholin-4-yl]ethanone
CID 156635882
1-(2-propylmorpholin-4-yl)ethanone
CID 89170982
1-[2-(2-hydroxyethyl)morpholin-4-yl]ethanone
CID 89469195
4-acetylmorpholine-2-carboxylic acid;ethane;4-formylmorpholine-3-carboxylic acid
CID 144675033
1-[(2S)-2-butylmorpholin-4-yl]ethanone
CID 155354328
4-(2,2-dimethylpropanoyl)morpholine-2-carboxylic acid
CID 54595495
4-acetyl-N-imidazo[1,2-a]pyridin-5-ylmorpholine-2-carboxamide
CID 154770985
1-[2-[(propan-2-ylamino)methyl]morpholin-4-yl]ethanone
CID 166157668
1-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)ethanone
CID 10335257

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylmorpholin-2-yl)ethanone?
The IUPAC name of 1-(4-acetylmorpholin-2-yl)ethanone (CID 59110253) is 1-(4-acetylmorpholin-2-yl)ethanone.
What is the SMILES notation for 1-(4-acetylmorpholin-2-yl)ethanone?
The canonical SMILES for 1-(4-acetylmorpholin-2-yl)ethanone is CC(=O)C1CN(C(C)=O)CCO1.
What is the InChIKey of 1-(4-acetylmorpholin-2-yl)ethanone?
The InChIKey is MLNFTWRNBYQSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-6(10)8-5-9(7(2)11)3-4-12-8/h8H,3-5H2,1-2H3.
What are the key properties of 1-(4-acetylmorpholin-2-yl)ethanone?
1-(4-acetylmorpholin-2-yl)ethanone has a molecular weight of 171.20 g/mol, XLogP of -0.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylmorpholin-2-yl)ethanone is sourced from PubChem (CID 59110253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).