[2-(chloromethyl)-5-methylmorpholin-4-yl]-(furan-3-yl)methanone

C11H14ClNO3 — CID 81212545

IUPAC[2-(chloromethyl)-5-methylmorpholin-4-yl]-(furan-3-yl)methanone
SMILESCC1COC(CCl)CN1C(=O)c1ccoc1
InChIInChI=1S/C11H14ClNO3/c1-8-6-16-10(4-12)5-13(8)11(14)9-2-3-15-7-9/h2-3,7-8,10H,4-6H2,1H3
InChIKeyKOUSKJJUNOYSSO-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.75
Rot. Bonds2

About [2-(chloromethyl)-5-methylmorpholin-4-yl]-(furan-3-yl)methanone

[2-(chloromethyl)-5-methylmorpholin-4-yl]-(furan-3-yl)methanone (PubChem CID 81212545) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is [2-(chloromethyl)-5-methylmorpholin-4-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[2-(chloromethyl)-5-methylmorpholin-4-yl]-(furan-3-yl)methanone
PubChem CID81212545
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name[2-(chloromethyl)-5-methylmorpholin-4-yl]-(furan-3-yl)methanone
SMILESCC1COC(CCl)CN1C(=O)c1ccoc1
InChIInChI=1S/C11H14ClNO3/c1-8-6-16-10(4-12)5-13(8)11(14)9-2-3-15-7-9/h2-3,7-8,10H,4-6H2,1H3
InChIKeyKOUSKJJUNOYSSO-UHFFFAOYSA-N
XLogP1.75
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.75
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

[2-(chloromethyl)-5-methylmorpholin-4-yl]-pyridin-3-ylmethanone
CID 81211730
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(4-hydroxy-3-methylphenyl)methanone
CID 107672999
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(3-hydroxyphenyl)methanone
CID 81212380
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(furan-2-yl)methanone
CID 81212054
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(3-fluorophenyl)methanone
CID 81211311
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(2-hydroxyphenyl)methanone
CID 81211637
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(2,3,4-trifluorophenyl)methanone
CID 81211640
(3-bromo-5-fluorophenyl)-[2-(chloromethyl)-5-methylmorpholin-4-yl]methanone
CID 81211638
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(4-methyl-3-nitrophenyl)methanone
CID 81213777
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(3-ethylthiophen-2-yl)methanone
CID 81212290
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(2,6-difluoro-3-methylphenyl)methanone
CID 82815850
(2-bromo-3-methylphenyl)-[2-(chloromethyl)-5-methylmorpholin-4-yl]methanone
CID 114024064

Frequently Asked Questions

What is the IUPAC name of [2-(chloromethyl)-5-methylmorpholin-4-yl]-(furan-3-yl)methanone?
The IUPAC name of [2-(chloromethyl)-5-methylmorpholin-4-yl]-(furan-3-yl)methanone (CID 81212545) is [2-(chloromethyl)-5-methylmorpholin-4-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [2-(chloromethyl)-5-methylmorpholin-4-yl]-(furan-3-yl)methanone?
The canonical SMILES for [2-(chloromethyl)-5-methylmorpholin-4-yl]-(furan-3-yl)methanone is CC1COC(CCl)CN1C(=O)c1ccoc1.
What is the InChIKey of [2-(chloromethyl)-5-methylmorpholin-4-yl]-(furan-3-yl)methanone?
The InChIKey is KOUSKJJUNOYSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-8-6-16-10(4-12)5-13(8)11(14)9-2-3-15-7-9/h2-3,7-8,10H,4-6H2,1H3.
What are the key properties of [2-(chloromethyl)-5-methylmorpholin-4-yl]-(furan-3-yl)methanone?
[2-(chloromethyl)-5-methylmorpholin-4-yl]-(furan-3-yl)methanone has a molecular weight of 243.69 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(chloromethyl)-5-methylmorpholin-4-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 81212545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).