2-chloro-1-(3-cyclopropylmorpholin-4-yl)ethanone

C9H14ClNO2 — CID 71757652

IUPAC2-chloro-1-(3-cyclopropylmorpholin-4-yl)ethanone
SMILESO=C(CCl)N1CCOCC1C1CC1
InChIInChI=1S/C9H14ClNO2/c10-5-9(12)11-3-4-13-6-8(11)7-1-2-7/h7-8H,1-6H2
InChIKeyCVOKSRFENACETI-UHFFFAOYSA-N
MW203.67 g/mol
LogP0.86
Rot. Bonds2

About 2-chloro-1-(3-cyclopropylmorpholin-4-yl)ethanone

2-chloro-1-(3-cyclopropylmorpholin-4-yl)ethanone (PubChem CID 71757652) has the molecular formula C9H14ClNO2 and a molecular weight of 203.67 g/mol. Its IUPAC name is 2-chloro-1-(3-cyclopropylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-chloro-1-(3-cyclopropylmorpholin-4-yl)ethanone
PubChem CID71757652
Molecular FormulaC9H14ClNO2
Molecular Weight203.67 g/mol
Exact Mass203.07
IUPAC Name2-chloro-1-(3-cyclopropylmorpholin-4-yl)ethanone
SMILESO=C(CCl)N1CCOCC1C1CC1
InChIInChI=1S/C9H14ClNO2/c10-5-9(12)11-3-4-13-6-8(11)7-1-2-7/h7-8H,1-6H2
InChIKeyCVOKSRFENACETI-UHFFFAOYSA-N
XLogP0.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.67
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-1-(3-cyclopropylmorpholin-4-yl)ethanone 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

1-(2,3,5,5a,6,7,8,8a-octahydrocyclopenta[e][1,4]oxazepin-1-yl)-3-chloropropan-1-one
CID 121204479
2-[4-(2-chloroacetyl)morpholin-3-yl]cyclohexan-1-one
CID 146094448
1-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-2-chloroethanone
CID 51889854
1-[(5aR,8aS)-2,3,5,5a,6,7,8,8a-octahydrocyclopenta[e][1,4]oxazepin-1-yl]-2-aminoethanone
CID 129499918
1-[(5aS,8aR)-2,3,5,5a,6,7,8,8a-octahydrocyclopenta[e][1,4]oxazepin-1-yl]-3-aminopropan-1-one
CID 129496768
3-[(5aR,8aR)-2,3,5,5a,6,7,8,8a-octahydrocyclopenta[e][1,4]oxazepin-1-yl]-3-oxopropanenitrile
CID 129496869
1-[(5aR,8aR)-2,3,5,5a,6,7,8,8a-octahydrocyclopenta[e][1,4]oxazepin-1-yl]-2-(methylamino)ethanone
CID 129495245
3-cyclopropyl-N-[2-[cyclopropyl(propan-2-yl)amino]ethyl]morpholine-4-carboxamide
CID 84592330
1-[(3R)-3-cyclobutylmorpholin-4-yl]-2-(2-methylpyrazol-3-yl)ethanone
CID 164635152
2-amino-1-(3-cyclopropylmorpholin-4-yl)-2-phenylethanone
CID 91660196
2-[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]-1-[(3S)-3-cyclopropylmorpholin-4-yl]ethanone
CID 99715190
1-(3-cyclopropylmorpholin-4-yl)-2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethanone
CID 138025112

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(3-cyclopropylmorpholin-4-yl)ethanone?
The IUPAC name of 2-chloro-1-(3-cyclopropylmorpholin-4-yl)ethanone (CID 71757652) is 2-chloro-1-(3-cyclopropylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-chloro-1-(3-cyclopropylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-chloro-1-(3-cyclopropylmorpholin-4-yl)ethanone is O=C(CCl)N1CCOCC1C1CC1.
What is the InChIKey of 2-chloro-1-(3-cyclopropylmorpholin-4-yl)ethanone?
The InChIKey is CVOKSRFENACETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClNO2/c10-5-9(12)11-3-4-13-6-8(11)7-1-2-7/h7-8H,1-6H2.
What are the key properties of 2-chloro-1-(3-cyclopropylmorpholin-4-yl)ethanone?
2-chloro-1-(3-cyclopropylmorpholin-4-yl)ethanone has a molecular weight of 203.67 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(3-cyclopropylmorpholin-4-yl)ethanone is sourced from PubChem (CID 71757652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).