2-[4-(2-methylpropoxy)-2-pyridinyl]acetaldehyde

C11H15NO2 — CID 83878359

IUPAC2-[4-(2-methylpropoxy)-2-pyridinyl]acetaldehyde
SMILESCC(C)COc1ccnc(CC=O)c1
InChIInChI=1S/C11H15NO2/c1-9(2)8-14-11-3-5-12-10(7-11)4-6-13/h3,5-7,9H,4,8H2,1-2H3
InChIKeyJYCUZMJMRCMAHG-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.86
Rot. Bonds5

About 2-[4-(2-methylpropoxy)-2-pyridinyl]acetaldehyde

2-[4-(2-methylpropoxy)-2-pyridinyl]acetaldehyde (PubChem CID 83878359) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-[4-(2-methylpropoxy)-2-pyridinyl]acetaldehyde.

Molecular Properties

Compound Name2-[4-(2-methylpropoxy)-2-pyridinyl]acetaldehyde
PubChem CID83878359
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-[4-(2-methylpropoxy)-2-pyridinyl]acetaldehyde
SMILESCC(C)COc1ccnc(CC=O)c1
InChIInChI=1S/C11H15NO2/c1-9(2)8-14-11-3-5-12-10(7-11)4-6-13/h3,5-7,9H,4,8H2,1-2H3
InChIKeyJYCUZMJMRCMAHG-UHFFFAOYSA-N
XLogP1.86
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.86
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

2-(4-bromo-2-pyridinyl)acetaldehyde
CID 53403630
2-chloro-4-(2-methylpropoxy)benzaldehyde
CID 52982918
[4-(4-methylpentan-2-yloxy)-2-pyridinyl]methanamine
CID 62292280
4-methyl-6-(2-methylpropoxy)quinoline
CID 82580912
ethane;4-(2-methylpropoxy)benzaldehyde
CID 143325995
N-[[4-(3-methylbutoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62292139
1,2-dimethyl-4-(2-methylpropoxy)benzene
CID 20812254
4-ethoxy-2-ethylpyridine
CID 59520086
5-(2-methylpropoxy)-2-nitrobenzaldehyde
CID 21469084
1-(2-methylpropoxy)-3-prop-2-enylbenzene
CID 91656681
4-(2-methylpropoxy)-2-(2-methylpyrimidin-5-yl)benzaldehyde
CID 172651184
methyl-[4-(2-methylpropoxy)phenyl]azanide;yttrium
CID 153398512

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropoxy)-2-pyridinyl]acetaldehyde?
The IUPAC name of 2-[4-(2-methylpropoxy)-2-pyridinyl]acetaldehyde (CID 83878359) is 2-[4-(2-methylpropoxy)-2-pyridinyl]acetaldehyde.
What is the SMILES notation for 2-[4-(2-methylpropoxy)-2-pyridinyl]acetaldehyde?
The canonical SMILES for 2-[4-(2-methylpropoxy)-2-pyridinyl]acetaldehyde is CC(C)COc1ccnc(CC=O)c1.
What is the InChIKey of 2-[4-(2-methylpropoxy)-2-pyridinyl]acetaldehyde?
The InChIKey is JYCUZMJMRCMAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-9(2)8-14-11-3-5-12-10(7-11)4-6-13/h3,5-7,9H,4,8H2,1-2H3.
What are the key properties of 2-[4-(2-methylpropoxy)-2-pyridinyl]acetaldehyde?
2-[4-(2-methylpropoxy)-2-pyridinyl]acetaldehyde has a molecular weight of 193.25 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropoxy)-2-pyridinyl]acetaldehyde is sourced from PubChem (CID 83878359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).