2-chloro-1-morpholin-4-ylbutan-1-one

C8H14ClNO2 — CID 62226878

IUPAC2-chloro-1-morpholin-4-ylbutan-1-one
SMILESCCC(Cl)C(=O)N1CCOCC1
InChIInChI=1S/C8H14ClNO2/c1-2-7(9)8(11)10-3-5-12-6-4-10/h7H,2-6H2,1H3
InChIKeyXCFBGLKYDPEQHU-UHFFFAOYSA-N
MW191.66 g/mol
LogP0.86
Rot. Bonds2

About 2-chloro-1-morpholin-4-ylbutan-1-one

2-chloro-1-morpholin-4-ylbutan-1-one (PubChem CID 62226878) has the molecular formula C8H14ClNO2 and a molecular weight of 191.66 g/mol. Its IUPAC name is 2-chloro-1-morpholin-4-ylbutan-1-one.

Molecular Properties

Compound Name2-chloro-1-morpholin-4-ylbutan-1-one
PubChem CID62226878
Molecular FormulaC8H14ClNO2
Molecular Weight191.66 g/mol
Exact Mass191.07
IUPAC Name2-chloro-1-morpholin-4-ylbutan-1-one
SMILESCCC(Cl)C(=O)N1CCOCC1
InChIInChI=1S/C8H14ClNO2/c1-2-7(9)8(11)10-3-5-12-6-4-10/h7H,2-6H2,1H3
InChIKeyXCFBGLKYDPEQHU-UHFFFAOYSA-N
XLogP0.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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

2-chloro-1-morpholin-4-ylhexan-1-one
CID 62226127
2-chloro-1-morpholin-4-ylnonan-1-one
CID 55048109
(2R)-2-hydroxy-1-morpholin-4-ylbutan-1-one
CID 69457105
(2S)-2-chloro-1-morpholin-4-ylpropan-1-one
CID 2434799
2-isocyano-1-morpholin-4-ylbutan-1-one
CID 134865549
(2S)-2-chloro-1-(4-methylpiperidin-1-yl)butan-1-one
CID 129497057
(2S)-1-morpholin-4-yl-2-phenylbutan-1-one
CID 670056
2-chloro-1-(1,4-oxazepan-4-yl)propan-1-one
CID 62986954
1-[(2S)-2-chlorobutanoyl]piperidine-4-carboxamide
CID 129497512
[(2R,3R)-3-methyl-1-oxo-1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)pentan-2-yl]azanium
CID 7452509
2-chloro-1-morpholin-4-yl-4-phenylpentan-1-one
CID 55047533
(2S)-2-butylsulfonyl-2-chloro-1-morpholin-4-ylethanone
CID 92652719

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-morpholin-4-ylbutan-1-one?
The IUPAC name of 2-chloro-1-morpholin-4-ylbutan-1-one (CID 62226878) is 2-chloro-1-morpholin-4-ylbutan-1-one.
What is the SMILES notation for 2-chloro-1-morpholin-4-ylbutan-1-one?
The canonical SMILES for 2-chloro-1-morpholin-4-ylbutan-1-one is CCC(Cl)C(=O)N1CCOCC1.
What is the InChIKey of 2-chloro-1-morpholin-4-ylbutan-1-one?
The InChIKey is XCFBGLKYDPEQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClNO2/c1-2-7(9)8(11)10-3-5-12-6-4-10/h7H,2-6H2,1H3.
What are the key properties of 2-chloro-1-morpholin-4-ylbutan-1-one?
2-chloro-1-morpholin-4-ylbutan-1-one has a molecular weight of 191.66 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-morpholin-4-ylbutan-1-one is sourced from PubChem (CID 62226878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).