2-chloro-5-(3-oxomorpholin-4-yl)benzaldehyde

C11H10ClNO3 — CID 91756748

IUPAC2-chloro-5-(3-oxomorpholin-4-yl)benzaldehyde
SMILESO=Cc1cc(N2CCOCC2=O)ccc1Cl
InChIInChI=1S/C11H10ClNO3/c12-10-2-1-9(5-8(10)6-14)13-3-4-16-7-11(13)15/h1-2,5-6H,3-4,7H2
InChIKeyHDDUPZPHAOWESP-UHFFFAOYSA-N
MW239.66 g/mol
LogP1.52
Rot. Bonds2

About 2-chloro-5-(3-oxomorpholin-4-yl)benzaldehyde

2-chloro-5-(3-oxomorpholin-4-yl)benzaldehyde (PubChem CID 91756748) has the molecular formula C11H10ClNO3 and a molecular weight of 239.66 g/mol. Its IUPAC name is 2-chloro-5-(3-oxomorpholin-4-yl)benzaldehyde.

Molecular Properties

Compound Name2-chloro-5-(3-oxomorpholin-4-yl)benzaldehyde
PubChem CID91756748
Molecular FormulaC11H10ClNO3
Molecular Weight239.66 g/mol
Exact Mass239.03
IUPAC Name2-chloro-5-(3-oxomorpholin-4-yl)benzaldehyde
SMILESO=Cc1cc(N2CCOCC2=O)ccc1Cl
InChIInChI=1S/C11H10ClNO3/c12-10-2-1-9(5-8(10)6-14)13-3-4-16-7-11(13)15/h1-2,5-6H,3-4,7H2
InChIKeyHDDUPZPHAOWESP-UHFFFAOYSA-N
XLogP1.52
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-(3-amino-4-chlorophenyl)morpholin-3-one
CID 82512872
2-methoxy-4-(3-oxomorpholin-4-yl)benzaldehyde
CID 91756333
4-(3-amino-4-nitrophenyl)morpholin-3-one
CID 66869728
4-(2-chloro-4-nitrophenyl)morpholin-3-one
CID 69051891
4-(4-methyl-3-nitrophenyl)morpholin-3-one
CID 165481709
4-(4-amino-3-ethynylphenyl)morpholin-3-one
CID 53417795
7,16-diphenyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-6,17-dione
CID 12887277
4-(4-ethynylphenyl)morpholin-3-one
CID 119094616
4-(2,3-dihydro-1H-indol-5-yl)morpholin-3-one
CID 82512700
4-(3-acetyl-4-aminophenyl)morpholin-3-one
CID 53417687
4-(2-bromo-4-chlorophenyl)morpholin-3-one
CID 130066570
4-(3-chloro-2-methylphenyl)morpholin-3-one
CID 165473298

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3-oxomorpholin-4-yl)benzaldehyde?
The IUPAC name of 2-chloro-5-(3-oxomorpholin-4-yl)benzaldehyde (CID 91756748) is 2-chloro-5-(3-oxomorpholin-4-yl)benzaldehyde.
What is the SMILES notation for 2-chloro-5-(3-oxomorpholin-4-yl)benzaldehyde?
The canonical SMILES for 2-chloro-5-(3-oxomorpholin-4-yl)benzaldehyde is O=Cc1cc(N2CCOCC2=O)ccc1Cl.
What is the InChIKey of 2-chloro-5-(3-oxomorpholin-4-yl)benzaldehyde?
The InChIKey is HDDUPZPHAOWESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO3/c12-10-2-1-9(5-8(10)6-14)13-3-4-16-7-11(13)15/h1-2,5-6H,3-4,7H2.
What are the key properties of 2-chloro-5-(3-oxomorpholin-4-yl)benzaldehyde?
2-chloro-5-(3-oxomorpholin-4-yl)benzaldehyde has a molecular weight of 239.66 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3-oxomorpholin-4-yl)benzaldehyde is sourced from PubChem (CID 91756748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).