1-morpholin-3-ylpropan-1-one

C7H13NO2 — CID 54487560

IUPAC1-morpholin-3-ylpropan-1-one
SMILESCCC(=O)C1COCCN1
InChIInChI=1S/C7H13NO2/c1-2-7(9)6-5-10-4-3-8-6/h6,8H,2-5H2,1H3
InChIKeyUTXNMWVUBYXFJE-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.05
Rot. Bonds2

About 1-morpholin-3-ylpropan-1-one

1-morpholin-3-ylpropan-1-one (PubChem CID 54487560) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 1-morpholin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-morpholin-3-ylpropan-1-one
PubChem CID54487560
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name1-morpholin-3-ylpropan-1-one
SMILESCCC(=O)C1COCCN1
InChIInChI=1S/C7H13NO2/c1-2-7(9)6-5-10-4-3-8-6/h6,8H,2-5H2,1H3
InChIKeyUTXNMWVUBYXFJE-UHFFFAOYSA-N
XLogP-0.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-ethylmorpholine-3-carboxamide
CID 96578732
ethyl (3R)-morpholine-3-carboxylate
CID 46839508
ethane;morpholine-3-carboxylic acid
CID 144576497
3-cyclopropyl-1-morpholin-3-ylpropan-1-one
CID 116576372
1-morpholin-3-ylhex-4-yn-1-one
CID 116576446
(3S)-morpholine-3-carboxylic acid;hydrochloride
CID 42614332
methyl (3S)-morpholine-3-carboxylate;hydrochloride
CID 42614245
trimethylsilylmethyl (3R)-morpholine-3-carboxylate
CID 124636413
2-(2-methyltetrazol-5-yl)-1-morpholin-3-ylethanone
CID 107062100
N-methylsulfonylmorpholine-3-carboxamide
CID 103287575
N-[2-(4-ethylphenyl)ethyl]morpholine-3-carboxamide
CID 115177646
2-(3,4-dichlorophenyl)-1-morpholin-3-ylethanone
CID 116576172

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-3-ylpropan-1-one?
The IUPAC name of 1-morpholin-3-ylpropan-1-one (CID 54487560) is 1-morpholin-3-ylpropan-1-one.
What is the SMILES notation for 1-morpholin-3-ylpropan-1-one?
The canonical SMILES for 1-morpholin-3-ylpropan-1-one is CCC(=O)C1COCCN1.
What is the InChIKey of 1-morpholin-3-ylpropan-1-one?
The InChIKey is UTXNMWVUBYXFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-2-7(9)6-5-10-4-3-8-6/h6,8H,2-5H2,1H3.
What are the key properties of 1-morpholin-3-ylpropan-1-one?
1-morpholin-3-ylpropan-1-one has a molecular weight of 143.19 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-3-ylpropan-1-one is sourced from PubChem (CID 54487560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).