2-chloro-1-(2-methylmorpholin-4-yl)propan-1-one

C8H14ClNO2 — CID 24698951

IUPAC2-chloro-1-(2-methylmorpholin-4-yl)propan-1-one
SMILESCC1CN(C(=O)C(C)Cl)CCO1
InChIInChI=1S/C8H14ClNO2/c1-6-5-10(3-4-12-6)8(11)7(2)9/h6-7H,3-5H2,1-2H3
InChIKeyGUJWOFRONREPHX-UHFFFAOYSA-N
MW191.66 g/mol
LogP0.86
Rot. Bonds1

About 2-chloro-1-(2-methylmorpholin-4-yl)propan-1-one

2-chloro-1-(2-methylmorpholin-4-yl)propan-1-one (PubChem CID 24698951) has the molecular formula C8H14ClNO2 and a molecular weight of 191.66 g/mol. Its IUPAC name is 2-chloro-1-(2-methylmorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name2-chloro-1-(2-methylmorpholin-4-yl)propan-1-one
PubChem CID24698951
Molecular FormulaC8H14ClNO2
Molecular Weight191.66 g/mol
Exact Mass191.07
IUPAC Name2-chloro-1-(2-methylmorpholin-4-yl)propan-1-one
SMILESCC1CN(C(=O)C(C)Cl)CCO1
InChIInChI=1S/C8H14ClNO2/c1-6-5-10(3-4-12-6)8(11)7(2)9/h6-7H,3-5H2,1-2H3
InChIKeyGUJWOFRONREPHX-UHFFFAOYSA-N
XLogP0.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-3-methyl-1-(2-methylmorpholin-4-yl)butan-1-one
CID 79011523
(2S)-2-amino-3-methyl-1-(2-methylmorpholin-4-yl)butan-1-one
CID 61148534
(2S)-2-methylmorpholine-4-carbonyl chloride
CID 151798222
(2S)-2-amino-4-methyl-1-(2-methylmorpholin-4-yl)pentan-1-one
CID 61148533
2-(azetidin-3-yl)-1-(2-methylmorpholin-4-yl)propan-1-one
CID 116674265
(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-1-[(2R)-2-methylmorpholin-4-yl]butan-1-one
CID 124826397
(2S)-2-chloro-1-[(3R)-3-methylpiperidin-1-yl]propan-1-one
CID 7063314
(2S)-2-methyl-N-propan-2-ylmorpholine-4-carboxamide
CID 167135155
(2S)-2-chloro-1-morpholin-4-ylpropan-1-one
CID 2434799
2-(4-fluorophenyl)-3-methyl-1-(2-methylmorpholin-4-yl)butan-1-one
CID 110313844
(2R)-2-chloro-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propan-1-one
CID 8000847
2-methylmorpholine-4-carboperoxoic acid
CID 175134730

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(2-methylmorpholin-4-yl)propan-1-one?
The IUPAC name of 2-chloro-1-(2-methylmorpholin-4-yl)propan-1-one (CID 24698951) is 2-chloro-1-(2-methylmorpholin-4-yl)propan-1-one.
What is the SMILES notation for 2-chloro-1-(2-methylmorpholin-4-yl)propan-1-one?
The canonical SMILES for 2-chloro-1-(2-methylmorpholin-4-yl)propan-1-one is CC1CN(C(=O)C(C)Cl)CCO1.
What is the InChIKey of 2-chloro-1-(2-methylmorpholin-4-yl)propan-1-one?
The InChIKey is GUJWOFRONREPHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNO2/c1-6-5-10(3-4-12-6)8(11)7(2)9/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-chloro-1-(2-methylmorpholin-4-yl)propan-1-one?
2-chloro-1-(2-methylmorpholin-4-yl)propan-1-one has a molecular weight of 191.66 g/mol, XLogP of 0.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(2-methylmorpholin-4-yl)propan-1-one is sourced from PubChem (CID 24698951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).