(2S)-2-methylmorpholine-4-carbonyl chloride

C6H10ClNO2 — CID 151798222

IUPAC(2S)-2-methylmorpholine-4-carbonyl chloride
SMILESC[C@H]1CN(C(=O)Cl)CCO1
InChIInChI=1S/C6H10ClNO2/c1-5-4-8(6(7)9)2-3-10-5/h5H,2-4H2,1H3/t5-/m0/s1
InChIKeyRYAYGDDXNUGATM-YFKPBYRVSA-N
MW163.60 g/mol
LogP1.07
Rot. Bonds

About (2S)-2-methylmorpholine-4-carbonyl chloride

(2S)-2-methylmorpholine-4-carbonyl chloride (PubChem CID 151798222) has the molecular formula C6H10ClNO2 and a molecular weight of 163.60 g/mol. Its IUPAC name is (2S)-2-methylmorpholine-4-carbonyl chloride.

Molecular Properties

Compound Name(2S)-2-methylmorpholine-4-carbonyl chloride
PubChem CID151798222
Molecular FormulaC6H10ClNO2
Molecular Weight163.60 g/mol
Exact Mass163.04
IUPAC Name(2S)-2-methylmorpholine-4-carbonyl chloride
SMILESC[C@H]1CN(C(=O)Cl)CCO1
InChIInChI=1S/C6H10ClNO2/c1-5-4-8(6(7)9)2-3-10-5/h5H,2-4H2,1H3/t5-/m0/s1
InChIKeyRYAYGDDXNUGATM-YFKPBYRVSA-N
XLogP1.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.60
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

5-methyl-1,3-oxazolidine-3-carbonyl chloride
CID 45081291
2-chloro-1-(2-methylmorpholin-4-yl)propan-1-one
CID 24698951
2-methylmorpholine-4-carboperoxoic acid
CID 175134730
(2-aminocyclopropyl)-(2-methylmorpholin-4-yl)methanone
CID 114995835
2-tert-butylmorpholine-4-carbonyl chloride
CID 165491195
6-methyl-1,4-oxazepane-4-carbonyl chloride
CID 131001720
2,6-dimethylmorpholine-4-carbonyl chloride
CID 19080228
(2S)-2-methyl-N-propan-2-ylmorpholine-4-carboxamide
CID 167135155
N-cyclopropyl-2-methylmorpholine-4-carboxamide
CID 110310077
2-propylmorpholine-4-carbonyl chloride
CID 141381731
(2R)-2-amino-3-methyl-1-(2-methylmorpholin-4-yl)butan-1-one
CID 79011523
N-ethyl-N,2-dimethylmorpholine-4-carboxamide
CID 116653749

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methylmorpholine-4-carbonyl chloride?
The IUPAC name of (2S)-2-methylmorpholine-4-carbonyl chloride (CID 151798222) is (2S)-2-methylmorpholine-4-carbonyl chloride.
What is the SMILES notation for (2S)-2-methylmorpholine-4-carbonyl chloride?
The canonical SMILES for (2S)-2-methylmorpholine-4-carbonyl chloride is C[C@H]1CN(C(=O)Cl)CCO1.
What is the InChIKey of (2S)-2-methylmorpholine-4-carbonyl chloride?
The InChIKey is RYAYGDDXNUGATM-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H10ClNO2/c1-5-4-8(6(7)9)2-3-10-5/h5H,2-4H2,1H3/t5-/m0/s1.
What are the key properties of (2S)-2-methylmorpholine-4-carbonyl chloride?
(2S)-2-methylmorpholine-4-carbonyl chloride has a molecular weight of 163.60 g/mol, XLogP of 1.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methylmorpholine-4-carbonyl chloride is sourced from PubChem (CID 151798222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).