[2-(chloromethyl)-6-methylmorpholin-4-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

C14H24ClNO2 — CID 102937469

IUPAC[2-(chloromethyl)-6-methylmorpholin-4-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1CN(C(=O)C2C(C)(C)C2(C)C)CC(CCl)O1
InChIInChI=1S/C14H24ClNO2/c1-9-7-16(8-10(6-15)18-9)12(17)11-13(2,3)14(11,4)5/h9-11H,6-8H2,1-5H3
InChIKeyZZAAVKSSJZYTDA-UHFFFAOYSA-N
MW273.80 g/mol
LogP2.52
Rot. Bonds2

About [2-(chloromethyl)-6-methylmorpholin-4-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone

[2-(chloromethyl)-6-methylmorpholin-4-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (PubChem CID 102937469) has the molecular formula C14H24ClNO2 and a molecular weight of 273.80 g/mol. Its IUPAC name is [2-(chloromethyl)-6-methylmorpholin-4-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.

Molecular Properties

Compound Name[2-(chloromethyl)-6-methylmorpholin-4-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
PubChem CID102937469
Molecular FormulaC14H24ClNO2
Molecular Weight273.80 g/mol
Exact Mass273.15
IUPAC Name[2-(chloromethyl)-6-methylmorpholin-4-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
SMILESCC1CN(C(=O)C2C(C)(C)C2(C)C)CC(CCl)O1
InChIInChI=1S/C14H24ClNO2/c1-9-7-16(8-10(6-15)18-9)12(17)11-13(2,3)14(11,4)5/h9-11H,6-8H2,1-5H3
InChIKeyZZAAVKSSJZYTDA-UHFFFAOYSA-N
XLogP2.52
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.80
LogP ≤ 52.52
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-(chloromethyl)-6-methylmorpholin-4-yl]-(1-methylcyclopentyl)methanone
CID 102937471
1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-2-cycloheptylethanone
CID 102937419
[2-(chloromethyl)-6-methylmorpholin-4-yl]-(oxolan-2-yl)methanone
CID 102937308
[2-(chloromethyl)-6-methylmorpholin-4-yl]-(2-methylthiolan-2-yl)methanone
CID 102937414
1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-2-methyl-2-methylsulfonylpropan-1-one
CID 102937629
1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-4,4,4-trifluorobutan-1-one
CID 102937571
(4-butylcyclohexyl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone
CID 102937329
(5-chlorofuran-2-yl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone
CID 106690235
[2-(chloromethyl)-6-methylmorpholin-4-yl]-(furan-2-yl)methanone
CID 102937304
[2-(chloromethyl)-6-methylmorpholin-4-yl]-(3,4,5-trifluorophenyl)methanone
CID 102937402
(3-chloro-2-fluorophenyl)-[2-(chloromethyl)-6-methylmorpholin-4-yl]methanone
CID 102937575
[2-(aminomethyl)-6-methylmorpholin-4-yl]-cyclopropylmethanone
CID 102938416

Frequently Asked Questions

What is the IUPAC name of [2-(chloromethyl)-6-methylmorpholin-4-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The IUPAC name of [2-(chloromethyl)-6-methylmorpholin-4-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone (CID 102937469) is [2-(chloromethyl)-6-methylmorpholin-4-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone.
What is the SMILES notation for [2-(chloromethyl)-6-methylmorpholin-4-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The canonical SMILES for [2-(chloromethyl)-6-methylmorpholin-4-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is CC1CN(C(=O)C2C(C)(C)C2(C)C)CC(CCl)O1.
What is the InChIKey of [2-(chloromethyl)-6-methylmorpholin-4-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
The InChIKey is ZZAAVKSSJZYTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClNO2/c1-9-7-16(8-10(6-15)18-9)12(17)11-13(2,3)14(11,4)5/h9-11H,6-8H2,1-5H3.
What are the key properties of [2-(chloromethyl)-6-methylmorpholin-4-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone?
[2-(chloromethyl)-6-methylmorpholin-4-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone has a molecular weight of 273.80 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(chloromethyl)-6-methylmorpholin-4-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone is sourced from PubChem (CID 102937469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).