2-bromomorpholine;propanal

C7H14BrNO2 — CID 174656620

IUPAC2-bromomorpholine;propanal
SMILESBrC1CNCCO1.CCC=O
InChIInChI=1S/C4H8BrNO.C3H6O/c5-4-3-6-1-2-7-4;1-2-3-4/h4,6H,1-3H2;3H,2H2,1H3
InChIKeyQDXKPSDWONPWPY-UHFFFAOYSA-N
MW224.10 g/mol
LogP0.92
Rot. Bonds1

About 2-bromomorpholine;propanal

2-bromomorpholine;propanal (PubChem CID 174656620) has the molecular formula C7H14BrNO2 and a molecular weight of 224.10 g/mol. Its IUPAC name is 2-bromomorpholine;propanal.

Molecular Properties

Compound Name2-bromomorpholine;propanal
PubChem CID174656620
Molecular FormulaC7H14BrNO2
Molecular Weight224.10 g/mol
Exact Mass223.02
IUPAC Name2-bromomorpholine;propanal
SMILESBrC1CNCCO1.CCC=O
InChIInChI=1S/C4H8BrNO.C3H6O/c5-4-3-6-1-2-7-4;1-2-3-4/h4,6H,1-3H2;3H,2H2,1H3
InChIKeyQDXKPSDWONPWPY-UHFFFAOYSA-N
XLogP0.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.10
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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1-morpholin-2-ylbutan-2-one
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(2S)-2-methylmorpholine;molecular hydrogen;propane
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morpholin-2-yl formate
CID 91405229
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CID 66435692
1-morpholin-2-ylbutan-2-ol
CID 57136466
(2R)-2-[(2S)-butan-2-yl]morpholine
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2-morpholin-2-yl-2-oxoacetaldehyde
CID 19972079
2-(morpholin-2-ylmethyl)morpholine
CID 18506039

Frequently Asked Questions

What is the IUPAC name of 2-bromomorpholine;propanal?
The IUPAC name of 2-bromomorpholine;propanal (CID 174656620) is 2-bromomorpholine;propanal.
What is the SMILES notation for 2-bromomorpholine;propanal?
The canonical SMILES for 2-bromomorpholine;propanal is BrC1CNCCO1.CCC=O.
What is the InChIKey of 2-bromomorpholine;propanal?
The InChIKey is QDXKPSDWONPWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8BrNO.C3H6O/c5-4-3-6-1-2-7-4;1-2-3-4/h4,6H,1-3H2;3H,2H2,1H3.
What are the key properties of 2-bromomorpholine;propanal?
2-bromomorpholine;propanal has a molecular weight of 224.10 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromomorpholine;propanal is sourced from PubChem (CID 174656620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).