4-[(3S,4R)-4-chlorooxolan-3-yl]morpholine

C8H14ClNO2 — CID 11263993

IUPAC4-[(3S,4R)-4-chlorooxolan-3-yl]morpholine
SMILESCl[C@H]1COC[C@@H]1N1CCOCC1
InChIInChI=1S/C8H14ClNO2/c9-7-5-12-6-8(7)10-1-3-11-4-2-10/h7-8H,1-6H2/t7-,8-/m0/s1
InChIKeyZNSFSIKFNDOUSV-YUMQZZPRSA-N
MW191.66 g/mol
LogP0.32
Rot. Bonds1

About 4-[(3S,4R)-4-chlorooxolan-3-yl]morpholine

4-[(3S,4R)-4-chlorooxolan-3-yl]morpholine (PubChem CID 11263993) has the molecular formula C8H14ClNO2 and a molecular weight of 191.66 g/mol. Its IUPAC name is 4-[(3S,4R)-4-chlorooxolan-3-yl]morpholine.

Molecular Properties

Compound Name4-[(3S,4R)-4-chlorooxolan-3-yl]morpholine
PubChem CID11263993
Molecular FormulaC8H14ClNO2
Molecular Weight191.66 g/mol
Exact Mass191.07
IUPAC Name4-[(3S,4R)-4-chlorooxolan-3-yl]morpholine
SMILESCl[C@H]1COC[C@@H]1N1CCOCC1
InChIInChI=1S/C8H14ClNO2/c9-7-5-12-6-8(7)10-1-3-11-4-2-10/h7-8H,1-6H2/t7-,8-/m0/s1
InChIKeyZNSFSIKFNDOUSV-YUMQZZPRSA-N
XLogP0.32
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R,4S)-4-morpholin-4-yloxolan-3-ol
CID 11378780
(3R,4R)-N-cyclooctyl-4-morpholin-4-yloxolan-3-amine
CID 131908541
4-(2-piperazin-1-ylcyclopentyl)morpholine
CID 121209586
trans-(1R,2R)-2-morpholin-4-ylcyclobutan-1-amine
CID 130926079
(3S,4S)-3,4-dimorpholin-4-ylthiolane 1,1-dioxide
CID 661770
4-(6-morpholin-4-yl-9-thiabicyclo[3.3.1]nonan-2-yl)morpholine
CID 4917615
4-(6-morpholin-4-yl-9-thiabicyclo[3.3.1]nonan-2-yl)morpholine;hydrochloride
CID 90485560
4-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)morpholine
CID 167251730
2-morpholin-4-ylcyclopropane-1-carboxylic acid
CID 117029758
(1R,2S,4R,5S)-4-morpholin-4-yl-6-oxabicyclo[3.1.0]hexan-2-ol
CID 130891723
(1S,2R,4S,5R)-4-morpholin-4-yl-6-oxabicyclo[3.1.0]hexan-2-ol
CID 12820066
(2-morpholin-4-ylcyclobutyl)methanamine
CID 80998654

Frequently Asked Questions

What is the IUPAC name of 4-[(3S,4R)-4-chlorooxolan-3-yl]morpholine?
The IUPAC name of 4-[(3S,4R)-4-chlorooxolan-3-yl]morpholine (CID 11263993) is 4-[(3S,4R)-4-chlorooxolan-3-yl]morpholine.
What is the SMILES notation for 4-[(3S,4R)-4-chlorooxolan-3-yl]morpholine?
The canonical SMILES for 4-[(3S,4R)-4-chlorooxolan-3-yl]morpholine is Cl[C@H]1COC[C@@H]1N1CCOCC1.
What is the InChIKey of 4-[(3S,4R)-4-chlorooxolan-3-yl]morpholine?
The InChIKey is ZNSFSIKFNDOUSV-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H14ClNO2/c9-7-5-12-6-8(7)10-1-3-11-4-2-10/h7-8H,1-6H2/t7-,8-/m0/s1.
What are the key properties of 4-[(3S,4R)-4-chlorooxolan-3-yl]morpholine?
4-[(3S,4R)-4-chlorooxolan-3-yl]morpholine has a molecular weight of 191.66 g/mol, XLogP of 0.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S,4R)-4-chlorooxolan-3-yl]morpholine is sourced from PubChem (CID 11263993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).