2-cyclopropyl-2-(4,6-dimethyl-3-pyridinyl)acetaldehyde

C12H15NO — CID 83829281

IUPAC2-cyclopropyl-2-(4,6-dimethyl-3-pyridinyl)acetaldehyde
SMILESCc1cc(C)c(C(C=O)C2CC2)cn1
InChIInChI=1S/C12H15NO/c1-8-5-9(2)13-6-11(8)12(7-14)10-3-4-10/h5-7,10,12H,3-4H2,1-2H3
InChIKeySCUAHHGOJHGVQC-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.39
Rot. Bonds3

About 2-cyclopropyl-2-(4,6-dimethyl-3-pyridinyl)acetaldehyde

2-cyclopropyl-2-(4,6-dimethyl-3-pyridinyl)acetaldehyde (PubChem CID 83829281) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-cyclopropyl-2-(4,6-dimethyl-3-pyridinyl)acetaldehyde.

Molecular Properties

Compound Name2-cyclopropyl-2-(4,6-dimethyl-3-pyridinyl)acetaldehyde
PubChem CID83829281
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name2-cyclopropyl-2-(4,6-dimethyl-3-pyridinyl)acetaldehyde
SMILESCc1cc(C)c(C(C=O)C2CC2)cn1
InChIInChI=1S/C12H15NO/c1-8-5-9(2)13-6-11(8)12(7-14)10-3-4-10/h5-7,10,12H,3-4H2,1-2H3
InChIKeySCUAHHGOJHGVQC-UHFFFAOYSA-N
XLogP2.39
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(4,6-dimethyl-3-pyridinyl)acetaldehyde?
The IUPAC name of 2-cyclopropyl-2-(4,6-dimethyl-3-pyridinyl)acetaldehyde (CID 83829281) is 2-cyclopropyl-2-(4,6-dimethyl-3-pyridinyl)acetaldehyde.
What is the SMILES notation for 2-cyclopropyl-2-(4,6-dimethyl-3-pyridinyl)acetaldehyde?
The canonical SMILES for 2-cyclopropyl-2-(4,6-dimethyl-3-pyridinyl)acetaldehyde is Cc1cc(C)c(C(C=O)C2CC2)cn1.
What is the InChIKey of 2-cyclopropyl-2-(4,6-dimethyl-3-pyridinyl)acetaldehyde?
The InChIKey is SCUAHHGOJHGVQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-8-5-9(2)13-6-11(8)12(7-14)10-3-4-10/h5-7,10,12H,3-4H2,1-2H3.
What are the key properties of 2-cyclopropyl-2-(4,6-dimethyl-3-pyridinyl)acetaldehyde?
2-cyclopropyl-2-(4,6-dimethyl-3-pyridinyl)acetaldehyde has a molecular weight of 189.26 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(4,6-dimethyl-3-pyridinyl)acetaldehyde is sourced from PubChem (CID 83829281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).