2-methyl-4-(2-methylpyrrolidin-1-yl)benzaldehyde

C13H17NO — CID 62135927

IUPAC2-methyl-4-(2-methylpyrrolidin-1-yl)benzaldehyde
SMILESCc1cc(N2CCCC2C)ccc1C=O
InChIInChI=1S/C13H17NO/c1-10-8-13(6-5-12(10)9-15)14-7-3-4-11(14)2/h5-6,8-9,11H,3-4,7H2,1-2H3
InChIKeyREHQQLNORUGFCV-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.80
Rot. Bonds2

About 2-methyl-4-(2-methylpyrrolidin-1-yl)benzaldehyde

2-methyl-4-(2-methylpyrrolidin-1-yl)benzaldehyde (PubChem CID 62135927) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-methyl-4-(2-methylpyrrolidin-1-yl)benzaldehyde.

Molecular Properties

Compound Name2-methyl-4-(2-methylpyrrolidin-1-yl)benzaldehyde
PubChem CID62135927
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name2-methyl-4-(2-methylpyrrolidin-1-yl)benzaldehyde
SMILESCc1cc(N2CCCC2C)ccc1C=O
InChIInChI=1S/C13H17NO/c1-10-8-13(6-5-12(10)9-15)14-7-3-4-11(14)2/h5-6,8-9,11H,3-4,7H2,1-2H3
InChIKeyREHQQLNORUGFCV-UHFFFAOYSA-N
XLogP2.80
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-4-(2-methylpyrrolidin-1-yl)benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-methylpyrrolidin-1-yl)benzaldehyde?
The IUPAC name of 2-methyl-4-(2-methylpyrrolidin-1-yl)benzaldehyde (CID 62135927) is 2-methyl-4-(2-methylpyrrolidin-1-yl)benzaldehyde.
What is the SMILES notation for 2-methyl-4-(2-methylpyrrolidin-1-yl)benzaldehyde?
The canonical SMILES for 2-methyl-4-(2-methylpyrrolidin-1-yl)benzaldehyde is Cc1cc(N2CCCC2C)ccc1C=O.
What is the InChIKey of 2-methyl-4-(2-methylpyrrolidin-1-yl)benzaldehyde?
The InChIKey is REHQQLNORUGFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-10-8-13(6-5-12(10)9-15)14-7-3-4-11(14)2/h5-6,8-9,11H,3-4,7H2,1-2H3.
What are the key properties of 2-methyl-4-(2-methylpyrrolidin-1-yl)benzaldehyde?
2-methyl-4-(2-methylpyrrolidin-1-yl)benzaldehyde has a molecular weight of 203.28 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-methylpyrrolidin-1-yl)benzaldehyde is sourced from PubChem (CID 62135927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).