2-amino-3-phenylpropanal

C9H11NO — CID 3300397

IUPAC2-amino-3-phenylpropanal
SMILESNC(C=O)Cc1ccccc1
InChIInChI=1S/C9H11NO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,7,9H,6,10H2
InChIKeyCQIUZHAQYHXKRY-UHFFFAOYSA-N
MW149.19 g/mol
LogP0.76
Rot. Bonds3

About 2-amino-3-phenylpropanal

2-amino-3-phenylpropanal (PubChem CID 3300397) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 2-amino-3-phenylpropanal.

Molecular Properties

Compound Name2-amino-3-phenylpropanal
PubChem CID3300397
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name2-amino-3-phenylpropanal
SMILESNC(C=O)Cc1ccccc1
InChIInChI=1S/C9H11NO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,7,9H,6,10H2
InChIKeyCQIUZHAQYHXKRY-UHFFFAOYSA-N
XLogP0.76
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 50.76
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 2-amino-3-phenylpropanal?
The IUPAC name of 2-amino-3-phenylpropanal (CID 3300397) is 2-amino-3-phenylpropanal.
What is the SMILES notation for 2-amino-3-phenylpropanal?
The canonical SMILES for 2-amino-3-phenylpropanal is NC(C=O)Cc1ccccc1.
What is the InChIKey of 2-amino-3-phenylpropanal?
The InChIKey is CQIUZHAQYHXKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,7,9H,6,10H2.
What are the key properties of 2-amino-3-phenylpropanal?
2-amino-3-phenylpropanal has a molecular weight of 149.19 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-phenylpropanal is sourced from PubChem (CID 3300397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).