4-cyclopropyl-2-(dimethylamino)-6-hydroxybenzaldehyde

C12H15NO2 — CID 167007165

IUPAC4-cyclopropyl-2-(dimethylamino)-6-hydroxybenzaldehyde
SMILESCN(C)c1cc(C2CC2)cc(O)c1C=O
InChIInChI=1S/C12H15NO2/c1-13(2)11-5-9(8-3-4-8)6-12(15)10(11)7-14/h5-8,15H,3-4H2,1-2H3
InChIKeyNYAKSCLJGJVRPF-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.15
Rot. Bonds3

About 4-cyclopropyl-2-(dimethylamino)-6-hydroxybenzaldehyde

4-cyclopropyl-2-(dimethylamino)-6-hydroxybenzaldehyde (PubChem CID 167007165) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 4-cyclopropyl-2-(dimethylamino)-6-hydroxybenzaldehyde.

Molecular Properties

Compound Name4-cyclopropyl-2-(dimethylamino)-6-hydroxybenzaldehyde
PubChem CID167007165
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name4-cyclopropyl-2-(dimethylamino)-6-hydroxybenzaldehyde
SMILESCN(C)c1cc(C2CC2)cc(O)c1C=O
InChIInChI=1S/C12H15NO2/c1-13(2)11-5-9(8-3-4-8)6-12(15)10(11)7-14/h5-8,15H,3-4H2,1-2H3
InChIKeyNYAKSCLJGJVRPF-UHFFFAOYSA-N
XLogP2.15
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.15
H-Bond Donors ≤ 51
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 4-cyclopropyl-2-(dimethylamino)-6-hydroxybenzaldehyde?
The IUPAC name of 4-cyclopropyl-2-(dimethylamino)-6-hydroxybenzaldehyde (CID 167007165) is 4-cyclopropyl-2-(dimethylamino)-6-hydroxybenzaldehyde.
What is the SMILES notation for 4-cyclopropyl-2-(dimethylamino)-6-hydroxybenzaldehyde?
The canonical SMILES for 4-cyclopropyl-2-(dimethylamino)-6-hydroxybenzaldehyde is CN(C)c1cc(C2CC2)cc(O)c1C=O.
What is the InChIKey of 4-cyclopropyl-2-(dimethylamino)-6-hydroxybenzaldehyde?
The InChIKey is NYAKSCLJGJVRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-13(2)11-5-9(8-3-4-8)6-12(15)10(11)7-14/h5-8,15H,3-4H2,1-2H3.
What are the key properties of 4-cyclopropyl-2-(dimethylamino)-6-hydroxybenzaldehyde?
4-cyclopropyl-2-(dimethylamino)-6-hydroxybenzaldehyde has a molecular weight of 205.26 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(dimethylamino)-6-hydroxybenzaldehyde is sourced from PubChem (CID 167007165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).