2-methyl-5-[2-(2-methylphenyl)propyl]pyrrolidine-1-carbaldehyde

C16H23NO — CID 130471069

IUPAC2-methyl-5-[2-(2-methylphenyl)propyl]pyrrolidine-1-carbaldehyde
SMILESCc1ccccc1C(C)CC1CCC(C)N1C=O
InChIInChI=1S/C16H23NO/c1-12-6-4-5-7-16(12)13(2)10-15-9-8-14(3)17(15)11-18/h4-7,11,13-15H,8-10H2,1-3H3
InChIKeyOPBQLOBYZJCOGY-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.50
Rot. Bonds4

About 2-methyl-5-[2-(2-methylphenyl)propyl]pyrrolidine-1-carbaldehyde

2-methyl-5-[2-(2-methylphenyl)propyl]pyrrolidine-1-carbaldehyde (PubChem CID 130471069) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-methyl-5-[2-(2-methylphenyl)propyl]pyrrolidine-1-carbaldehyde.

Molecular Properties

Compound Name2-methyl-5-[2-(2-methylphenyl)propyl]pyrrolidine-1-carbaldehyde
PubChem CID130471069
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-methyl-5-[2-(2-methylphenyl)propyl]pyrrolidine-1-carbaldehyde
SMILESCc1ccccc1C(C)CC1CCC(C)N1C=O
InChIInChI=1S/C16H23NO/c1-12-6-4-5-7-16(12)13(2)10-15-9-8-14(3)17(15)11-18/h4-7,11,13-15H,8-10H2,1-3H3
InChIKeyOPBQLOBYZJCOGY-UHFFFAOYSA-N
XLogP3.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-methyl-5-[2-(2-methylphenyl)propyl]pyrrolidine-1-carbaldehyde?
The IUPAC name of 2-methyl-5-[2-(2-methylphenyl)propyl]pyrrolidine-1-carbaldehyde (CID 130471069) is 2-methyl-5-[2-(2-methylphenyl)propyl]pyrrolidine-1-carbaldehyde.
What is the SMILES notation for 2-methyl-5-[2-(2-methylphenyl)propyl]pyrrolidine-1-carbaldehyde?
The canonical SMILES for 2-methyl-5-[2-(2-methylphenyl)propyl]pyrrolidine-1-carbaldehyde is Cc1ccccc1C(C)CC1CCC(C)N1C=O.
What is the InChIKey of 2-methyl-5-[2-(2-methylphenyl)propyl]pyrrolidine-1-carbaldehyde?
The InChIKey is OPBQLOBYZJCOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-12-6-4-5-7-16(12)13(2)10-15-9-8-14(3)17(15)11-18/h4-7,11,13-15H,8-10H2,1-3H3.
What are the key properties of 2-methyl-5-[2-(2-methylphenyl)propyl]pyrrolidine-1-carbaldehyde?
2-methyl-5-[2-(2-methylphenyl)propyl]pyrrolidine-1-carbaldehyde has a molecular weight of 245.37 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-(2-methylphenyl)propyl]pyrrolidine-1-carbaldehyde is sourced from PubChem (CID 130471069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).