5-hydroxy-2-(2-methylpyrrolidin-2-yl)benzaldehyde

C12H15NO2 — CID 117293432

IUPAC5-hydroxy-2-(2-methylpyrrolidin-2-yl)benzaldehyde
SMILESCC1(c2ccc(O)cc2C=O)CCCN1
InChIInChI=1S/C12H15NO2/c1-12(5-2-6-13-12)11-4-3-10(15)7-9(11)8-14/h3-4,7-8,13,15H,2,5-6H2,1H3
InChIKeyOVQSNWPJUXDIOT-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.80
Rot. Bonds2

About 5-hydroxy-2-(2-methylpyrrolidin-2-yl)benzaldehyde

5-hydroxy-2-(2-methylpyrrolidin-2-yl)benzaldehyde (PubChem CID 117293432) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 5-hydroxy-2-(2-methylpyrrolidin-2-yl)benzaldehyde.

Molecular Properties

Compound Name5-hydroxy-2-(2-methylpyrrolidin-2-yl)benzaldehyde
PubChem CID117293432
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name5-hydroxy-2-(2-methylpyrrolidin-2-yl)benzaldehyde
SMILESCC1(c2ccc(O)cc2C=O)CCCN1
InChIInChI=1S/C12H15NO2/c1-12(5-2-6-13-12)11-4-3-10(15)7-9(11)8-14/h3-4,7-8,13,15H,2,5-6H2,1H3
InChIKeyOVQSNWPJUXDIOT-UHFFFAOYSA-N
XLogP1.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-4-(2-methylpyrrolidin-2-yl)phenol
CID 82623381
4-(2-methylpyrrolidin-2-yl)phenol
CID 82599572
2-ethyl-5-methyl-4-(2-methylpyrrolidin-2-yl)phenol
CID 117313036
4,5-difluoro-2-(2-methylpyrrolidin-2-yl)phenol
CID 117303885
4-(2-methylazepan-2-yl)phenol
CID 115059442
4-(fluoromethyl)-2-(2-methylpyrrolidin-2-yl)phenol
CID 117298982
2-bromo-3-fluoro-4-(2-methylpyrrolidin-2-yl)phenol
CID 117437562
2-(2-methylpyrrolidin-2-yl)-4-(trifluoromethyl)phenol
CID 117364454
2-(2-chloro-4-methylphenyl)-2-methylpyrrolidine
CID 117299721
1-[2-[(2R)-2-methylpyrrolidin-2-yl]phenyl]ethanone
CID 124704358
ethane;4-hydroxyphthalaldehyde
CID 90973394
2-chloro-6-fluoro-3-methyl-5-(2-methylpyrrolidin-2-yl)phenol
CID 117361379

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(2-methylpyrrolidin-2-yl)benzaldehyde?
The IUPAC name of 5-hydroxy-2-(2-methylpyrrolidin-2-yl)benzaldehyde (CID 117293432) is 5-hydroxy-2-(2-methylpyrrolidin-2-yl)benzaldehyde.
What is the SMILES notation for 5-hydroxy-2-(2-methylpyrrolidin-2-yl)benzaldehyde?
The canonical SMILES for 5-hydroxy-2-(2-methylpyrrolidin-2-yl)benzaldehyde is CC1(c2ccc(O)cc2C=O)CCCN1.
What is the InChIKey of 5-hydroxy-2-(2-methylpyrrolidin-2-yl)benzaldehyde?
The InChIKey is OVQSNWPJUXDIOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-12(5-2-6-13-12)11-4-3-10(15)7-9(11)8-14/h3-4,7-8,13,15H,2,5-6H2,1H3.
What are the key properties of 5-hydroxy-2-(2-methylpyrrolidin-2-yl)benzaldehyde?
5-hydroxy-2-(2-methylpyrrolidin-2-yl)benzaldehyde has a molecular weight of 205.26 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(2-methylpyrrolidin-2-yl)benzaldehyde is sourced from PubChem (CID 117293432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).