3-methyl-4-morpholin-4-ylbenzaldehyde

C12H15NO2 — CID 7148600

IUPAC3-methyl-4-morpholin-4-ylbenzaldehyde
SMILESCc1cc(C=O)ccc1N1CCOCC1
InChIInChI=1S/C12H15NO2/c1-10-8-11(9-14)2-3-12(10)13-4-6-15-7-5-13/h2-3,8-9H,4-7H2,1H3
InChIKeyWHOJJIDGMVIEQB-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.64
Rot. Bonds2

About 3-methyl-4-morpholin-4-ylbenzaldehyde

3-methyl-4-morpholin-4-ylbenzaldehyde (PubChem CID 7148600) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-methyl-4-morpholin-4-ylbenzaldehyde.

Molecular Properties

Compound Name3-methyl-4-morpholin-4-ylbenzaldehyde
PubChem CID7148600
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name3-methyl-4-morpholin-4-ylbenzaldehyde
SMILESCc1cc(C=O)ccc1N1CCOCC1
InChIInChI=1S/C12H15NO2/c1-10-8-11(9-14)2-3-12(10)13-4-6-15-7-5-13/h2-3,8-9H,4-7H2,1H3
InChIKeyWHOJJIDGMVIEQB-UHFFFAOYSA-N
XLogP1.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-morpholin-4-ylbenzaldehyde?
The IUPAC name of 3-methyl-4-morpholin-4-ylbenzaldehyde (CID 7148600) is 3-methyl-4-morpholin-4-ylbenzaldehyde.
What is the SMILES notation for 3-methyl-4-morpholin-4-ylbenzaldehyde?
The canonical SMILES for 3-methyl-4-morpholin-4-ylbenzaldehyde is Cc1cc(C=O)ccc1N1CCOCC1.
What is the InChIKey of 3-methyl-4-morpholin-4-ylbenzaldehyde?
The InChIKey is WHOJJIDGMVIEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-10-8-11(9-14)2-3-12(10)13-4-6-15-7-5-13/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 3-methyl-4-morpholin-4-ylbenzaldehyde?
3-methyl-4-morpholin-4-ylbenzaldehyde has a molecular weight of 205.26 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-morpholin-4-ylbenzaldehyde is sourced from PubChem (CID 7148600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).