[2-(chloromethyl)-6-methylmorpholin-4-yl]-(1-methylcyclopentyl)methanone

C13H22ClNO2 — CID 102937471

IUPAC[2-(chloromethyl)-6-methylmorpholin-4-yl]-(1-methylcyclopentyl)methanone
SMILESCC1CN(C(=O)C2(C)CCCC2)CC(CCl)O1
InChIInChI=1S/C13H22ClNO2/c1-10-8-15(9-11(7-14)17-10)12(16)13(2)5-3-4-6-13/h10-11H,3-9H2,1-2H3
InChIKeyRZZPNXBVABBIJA-UHFFFAOYSA-N
MW259.78 g/mol
LogP2.42
Rot. Bonds2

About [2-(chloromethyl)-6-methylmorpholin-4-yl]-(1-methylcyclopentyl)methanone

[2-(chloromethyl)-6-methylmorpholin-4-yl]-(1-methylcyclopentyl)methanone (PubChem CID 102937471) has the molecular formula C13H22ClNO2 and a molecular weight of 259.78 g/mol. Its IUPAC name is [2-(chloromethyl)-6-methylmorpholin-4-yl]-(1-methylcyclopentyl)methanone.

Molecular Properties

Compound Name[2-(chloromethyl)-6-methylmorpholin-4-yl]-(1-methylcyclopentyl)methanone
PubChem CID102937471
Molecular FormulaC13H22ClNO2
Molecular Weight259.78 g/mol
Exact Mass259.13
IUPAC Name[2-(chloromethyl)-6-methylmorpholin-4-yl]-(1-methylcyclopentyl)methanone
SMILESCC1CN(C(=O)C2(C)CCCC2)CC(CCl)O1
InChIInChI=1S/C13H22ClNO2/c1-10-8-15(9-11(7-14)17-10)12(16)13(2)5-3-4-6-13/h10-11H,3-9H2,1-2H3
InChIKeyRZZPNXBVABBIJA-UHFFFAOYSA-N
XLogP2.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.78
LogP ≤ 52.42
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]-(2-methylthiolan-2-yl)methanone
CID 102937414
[2-(chloromethyl)-6-methylmorpholin-4-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 102937469
(1-ethylcyclopentyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934084
1-[2-(chloromethyl)-6-methylmorpholin-4-yl]-2-cycloheptylethanone
CID 102937419
(1-aminocyclopropyl)-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102932645
[2-(chloromethyl)-6-methylmorpholin-4-yl]-(oxolan-2-yl)methanone
CID 102937308
1-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cycloheptane-1-carbonitrile
CID 102932743
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
(1-aminocyclopropyl)-(2-ethyl-6-methylmorpholin-4-yl)methanone;hydrochloride
CID 119751390
(1-aminocyclopentyl)-(2,6-dimethylmorpholin-4-yl)methanone;hydrochloride
CID 119261690
[2-(chloromethyl)-6-methylmorpholin-4-yl]-(furan-2-yl)methanone
CID 102937304

Frequently Asked Questions

What is the IUPAC name of [2-(chloromethyl)-6-methylmorpholin-4-yl]-(1-methylcyclopentyl)methanone?
The IUPAC name of [2-(chloromethyl)-6-methylmorpholin-4-yl]-(1-methylcyclopentyl)methanone (CID 102937471) is [2-(chloromethyl)-6-methylmorpholin-4-yl]-(1-methylcyclopentyl)methanone.
What is the SMILES notation for [2-(chloromethyl)-6-methylmorpholin-4-yl]-(1-methylcyclopentyl)methanone?
The canonical SMILES for [2-(chloromethyl)-6-methylmorpholin-4-yl]-(1-methylcyclopentyl)methanone is CC1CN(C(=O)C2(C)CCCC2)CC(CCl)O1.
What is the InChIKey of [2-(chloromethyl)-6-methylmorpholin-4-yl]-(1-methylcyclopentyl)methanone?
The InChIKey is RZZPNXBVABBIJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClNO2/c1-10-8-15(9-11(7-14)17-10)12(16)13(2)5-3-4-6-13/h10-11H,3-9H2,1-2H3.
What are the key properties of [2-(chloromethyl)-6-methylmorpholin-4-yl]-(1-methylcyclopentyl)methanone?
[2-(chloromethyl)-6-methylmorpholin-4-yl]-(1-methylcyclopentyl)methanone has a molecular weight of 259.78 g/mol, XLogP of 2.42, 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]-(1-methylcyclopentyl)methanone is sourced from PubChem (CID 102937471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).