[2-(chloromethyl)morpholin-4-yl]-(2,2-dimethylcyclopropyl)methanone

C11H18ClNO2 — CID 107003221

IUPAC[2-(chloromethyl)morpholin-4-yl]-(2,2-dimethylcyclopropyl)methanone
SMILESCC1(C)CC1C(=O)N1CCOC(CCl)C1
InChIInChI=1S/C11H18ClNO2/c1-11(2)5-9(11)10(14)13-3-4-15-8(6-12)7-13/h8-9H,3-7H2,1-2H3
InChIKeyDQXKLPDESRXINJ-UHFFFAOYSA-N
MW231.72 g/mol
LogP1.50
Rot. Bonds2

About [2-(chloromethyl)morpholin-4-yl]-(2,2-dimethylcyclopropyl)methanone

[2-(chloromethyl)morpholin-4-yl]-(2,2-dimethylcyclopropyl)methanone (PubChem CID 107003221) has the molecular formula C11H18ClNO2 and a molecular weight of 231.72 g/mol. Its IUPAC name is [2-(chloromethyl)morpholin-4-yl]-(2,2-dimethylcyclopropyl)methanone.

Molecular Properties

Compound Name[2-(chloromethyl)morpholin-4-yl]-(2,2-dimethylcyclopropyl)methanone
PubChem CID107003221
Molecular FormulaC11H18ClNO2
Molecular Weight231.72 g/mol
Exact Mass231.10
IUPAC Name[2-(chloromethyl)morpholin-4-yl]-(2,2-dimethylcyclopropyl)methanone
SMILESCC1(C)CC1C(=O)N1CCOC(CCl)C1
InChIInChI=1S/C11H18ClNO2/c1-11(2)5-9(11)10(14)13-3-4-15-8(6-12)7-13/h8-9H,3-7H2,1-2H3
InChIKeyDQXKLPDESRXINJ-UHFFFAOYSA-N
XLogP1.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.72
LogP ≤ 51.50
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

1-[2-(chloromethyl)morpholin-4-yl]butan-1-one
CID 81210002
[2-(chloromethyl)morpholin-4-yl]-(2,4,5-trimethyloxolan-3-yl)methanone
CID 81210109
(2,2-dimethylcyclopentyl)-[2-(methylaminomethyl)morpholin-4-yl]methanone
CID 107180979
1-[2-(chloromethyl)morpholin-4-yl]-2-cyclohexylethanone
CID 81210447
[2-(chloromethyl)morpholin-4-yl]-[2-(trifluoromethyl)cyclohexyl]methanone
CID 104622755
(4-tert-butylphenyl)-[2-(chloromethyl)morpholin-4-yl]methanone
CID 81210456
(4-chloropiperidin-1-yl)-(2,2-dimethylcyclopropyl)methanone
CID 107003166
cyclopropyl-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208707
[2-(hydroxymethyl)morpholin-4-yl]-(2-methylcyclopropyl)methanone
CID 81208013
1-[2-(chloromethyl)morpholin-4-yl]-2-(2,5-dimethylphenyl)ethanone
CID 81210812
(2,2-dimethylcyclopropyl)-[(3S)-3-methylpiperazin-1-yl]methanone
CID 102611992
3-[2-(hydroxymethyl)morpholin-4-yl]-2,2-dimethyl-3-oxopropanoic acid
CID 82820748

Frequently Asked Questions

What is the IUPAC name of [2-(chloromethyl)morpholin-4-yl]-(2,2-dimethylcyclopropyl)methanone?
The IUPAC name of [2-(chloromethyl)morpholin-4-yl]-(2,2-dimethylcyclopropyl)methanone (CID 107003221) is [2-(chloromethyl)morpholin-4-yl]-(2,2-dimethylcyclopropyl)methanone.
What is the SMILES notation for [2-(chloromethyl)morpholin-4-yl]-(2,2-dimethylcyclopropyl)methanone?
The canonical SMILES for [2-(chloromethyl)morpholin-4-yl]-(2,2-dimethylcyclopropyl)methanone is CC1(C)CC1C(=O)N1CCOC(CCl)C1.
What is the InChIKey of [2-(chloromethyl)morpholin-4-yl]-(2,2-dimethylcyclopropyl)methanone?
The InChIKey is DQXKLPDESRXINJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNO2/c1-11(2)5-9(11)10(14)13-3-4-15-8(6-12)7-13/h8-9H,3-7H2,1-2H3.
What are the key properties of [2-(chloromethyl)morpholin-4-yl]-(2,2-dimethylcyclopropyl)methanone?
[2-(chloromethyl)morpholin-4-yl]-(2,2-dimethylcyclopropyl)methanone has a molecular weight of 231.72 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(chloromethyl)morpholin-4-yl]-(2,2-dimethylcyclopropyl)methanone is sourced from PubChem (CID 107003221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).