2-(4-aminophenyl)pyrrolidine-1-carbaldehyde

C11H14N2O — CID 151121323

IUPAC2-(4-aminophenyl)pyrrolidine-1-carbaldehyde
SMILESNc1ccc(C2CCCN2C=O)cc1
InChIInChI=1S/C11H14N2O/c12-10-5-3-9(4-6-10)11-2-1-7-13(11)8-14/h3-6,8,11H,1-2,7,12H2
InChIKeyMSGBABIWIPJBPW-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.56
Rot. Bonds2

About 2-(4-aminophenyl)pyrrolidine-1-carbaldehyde

2-(4-aminophenyl)pyrrolidine-1-carbaldehyde (PubChem CID 151121323) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-(4-aminophenyl)pyrrolidine-1-carbaldehyde.

Molecular Properties

Compound Name2-(4-aminophenyl)pyrrolidine-1-carbaldehyde
PubChem CID151121323
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2-(4-aminophenyl)pyrrolidine-1-carbaldehyde
SMILESNc1ccc(C2CCCN2C=O)cc1
InChIInChI=1S/C11H14N2O/c12-10-5-3-9(4-6-10)11-2-1-7-13(11)8-14/h3-6,8,11H,1-2,7,12H2
InChIKeyMSGBABIWIPJBPW-UHFFFAOYSA-N
XLogP1.56
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)pyrrolidine-1-carbaldehyde?
The IUPAC name of 2-(4-aminophenyl)pyrrolidine-1-carbaldehyde (CID 151121323) is 2-(4-aminophenyl)pyrrolidine-1-carbaldehyde.
What is the SMILES notation for 2-(4-aminophenyl)pyrrolidine-1-carbaldehyde?
The canonical SMILES for 2-(4-aminophenyl)pyrrolidine-1-carbaldehyde is Nc1ccc(C2CCCN2C=O)cc1.
What is the InChIKey of 2-(4-aminophenyl)pyrrolidine-1-carbaldehyde?
The InChIKey is MSGBABIWIPJBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c12-10-5-3-9(4-6-10)11-2-1-7-13(11)8-14/h3-6,8,11H,1-2,7,12H2.
What are the key properties of 2-(4-aminophenyl)pyrrolidine-1-carbaldehyde?
2-(4-aminophenyl)pyrrolidine-1-carbaldehyde has a molecular weight of 190.25 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)pyrrolidine-1-carbaldehyde is sourced from PubChem (CID 151121323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).