(2S)-2-chloro-1-morpholin-4-ylpropan-1-one

C7H12ClNO2 — CID 2434799

IUPAC(2S)-2-chloro-1-morpholin-4-ylpropan-1-one
SMILESC[C@H](Cl)C(=O)N1CCOCC1
InChIInChI=1S/C7H12ClNO2/c1-6(8)7(10)9-2-4-11-5-3-9/h6H,2-5H2,1H3/t6-/m0/s1
InChIKeyQAGATHCAVJHHGR-LURJTMIESA-N
MW177.63 g/mol
LogP0.47
Rot. Bonds1

About (2S)-2-chloro-1-morpholin-4-ylpropan-1-one

(2S)-2-chloro-1-morpholin-4-ylpropan-1-one (PubChem CID 2434799) has the molecular formula C7H12ClNO2 and a molecular weight of 177.63 g/mol. Its IUPAC name is (2S)-2-chloro-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name(2S)-2-chloro-1-morpholin-4-ylpropan-1-one
PubChem CID2434799
Molecular FormulaC7H12ClNO2
Molecular Weight177.63 g/mol
Exact Mass177.06
IUPAC Name(2S)-2-chloro-1-morpholin-4-ylpropan-1-one
SMILESC[C@H](Cl)C(=O)N1CCOCC1
InChIInChI=1S/C7H12ClNO2/c1-6(8)7(10)9-2-4-11-5-3-9/h6H,2-5H2,1H3/t6-/m0/s1
InChIKeyQAGATHCAVJHHGR-LURJTMIESA-N
XLogP0.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.63
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-2-chloro-1-morpholin-4-ylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-1-(1,4-oxazepan-4-yl)propan-1-one
CID 62986954
2-chloro-1-pyrrolidin-1-ylpropan-1-one
CID 3276100
2-chloro-1-morpholin-4-ylbutan-1-one
CID 62226878
(2R)-2-amino-1-morpholin-4-ylpropan-1-one;hydrochloride
CID 156637014
2-chloro-1-(4-fluoropiperidin-1-yl)propan-1-one
CID 121200830
(2S)-2-hydroxy-3-methyl-1-morpholin-4-ylbutan-1-one
CID 69460030
(2R)-2-amino-1-(1,4,7-trioxa-10-azacyclododec-10-yl)propan-1-one
CID 1121708
2-chloro-1-(4-methylpiperazin-1-yl)propan-1-one
CID 3273405
2,3-dimethyl-4-morpholin-4-yl-4-oxobutanoic acid
CID 21025679
2-amino-3-methyl-1-morpholin-4-ylbutan-1-one
CID 22492154
2-chloro-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
CID 13018232
2-chloro-1-(2-methylmorpholin-4-yl)propan-1-one
CID 24698951

Frequently Asked Questions

What is the IUPAC name of (2S)-2-chloro-1-morpholin-4-ylpropan-1-one?
The IUPAC name of (2S)-2-chloro-1-morpholin-4-ylpropan-1-one (CID 2434799) is (2S)-2-chloro-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for (2S)-2-chloro-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for (2S)-2-chloro-1-morpholin-4-ylpropan-1-one is C[C@H](Cl)C(=O)N1CCOCC1.
What is the InChIKey of (2S)-2-chloro-1-morpholin-4-ylpropan-1-one?
The InChIKey is QAGATHCAVJHHGR-LURJTMIESA-N. The full InChI is InChI=1S/C7H12ClNO2/c1-6(8)7(10)9-2-4-11-5-3-9/h6H,2-5H2,1H3/t6-/m0/s1.
What are the key properties of (2S)-2-chloro-1-morpholin-4-ylpropan-1-one?
(2S)-2-chloro-1-morpholin-4-ylpropan-1-one has a molecular weight of 177.63 g/mol, XLogP of 0.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-chloro-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 2434799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).