4-(2-bromophenyl)pyrrolidine-2-carbaldehyde

C11H12BrNO — CID 174983448

IUPAC4-(2-bromophenyl)pyrrolidine-2-carbaldehyde
SMILESO=CC1CC(c2ccccc2Br)CN1
InChIInChI=1S/C11H12BrNO/c12-11-4-2-1-3-10(11)8-5-9(7-14)13-6-8/h1-4,7-9,13H,5-6H2
InChIKeyHECSBBOBVRAJRL-UHFFFAOYSA-N
MW254.13 g/mol
LogP2.09
Rot. Bonds2

About 4-(2-bromophenyl)pyrrolidine-2-carbaldehyde

4-(2-bromophenyl)pyrrolidine-2-carbaldehyde (PubChem CID 174983448) has the molecular formula C11H12BrNO and a molecular weight of 254.13 g/mol. Its IUPAC name is 4-(2-bromophenyl)pyrrolidine-2-carbaldehyde.

Molecular Properties

Compound Name4-(2-bromophenyl)pyrrolidine-2-carbaldehyde
PubChem CID174983448
Molecular FormulaC11H12BrNO
Molecular Weight254.13 g/mol
Exact Mass253.01
IUPAC Name4-(2-bromophenyl)pyrrolidine-2-carbaldehyde
SMILESO=CC1CC(c2ccccc2Br)CN1
InChIInChI=1S/C11H12BrNO/c12-11-4-2-1-3-10(11)8-5-9(7-14)13-6-8/h1-4,7-9,13H,5-6H2
InChIKeyHECSBBOBVRAJRL-UHFFFAOYSA-N
XLogP2.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2-bromophenyl)pyrrolidine-2-carbaldehyde?
The IUPAC name of 4-(2-bromophenyl)pyrrolidine-2-carbaldehyde (CID 174983448) is 4-(2-bromophenyl)pyrrolidine-2-carbaldehyde.
What is the SMILES notation for 4-(2-bromophenyl)pyrrolidine-2-carbaldehyde?
The canonical SMILES for 4-(2-bromophenyl)pyrrolidine-2-carbaldehyde is O=CC1CC(c2ccccc2Br)CN1.
What is the InChIKey of 4-(2-bromophenyl)pyrrolidine-2-carbaldehyde?
The InChIKey is HECSBBOBVRAJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO/c12-11-4-2-1-3-10(11)8-5-9(7-14)13-6-8/h1-4,7-9,13H,5-6H2.
What are the key properties of 4-(2-bromophenyl)pyrrolidine-2-carbaldehyde?
4-(2-bromophenyl)pyrrolidine-2-carbaldehyde has a molecular weight of 254.13 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)pyrrolidine-2-carbaldehyde is sourced from PubChem (CID 174983448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).