3-(5-amino-2-phenylphenyl)prop-2-enal

C15H13NO — CID 91351132

IUPAC3-(5-amino-2-phenylphenyl)prop-2-enal
SMILESNc1ccc(-c2ccccc2)c(C=CC=O)c1
InChIInChI=1S/C15H13NO/c16-14-8-9-15(12-5-2-1-3-6-12)13(11-14)7-4-10-17/h1-11H,16H2
InChIKeyBUODGGXSMMJNBR-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.15
Rot. Bonds3

About 3-(5-amino-2-phenylphenyl)prop-2-enal

3-(5-amino-2-phenylphenyl)prop-2-enal (PubChem CID 91351132) has the molecular formula C15H13NO and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-(5-amino-2-phenylphenyl)prop-2-enal.

Molecular Properties

Compound Name3-(5-amino-2-phenylphenyl)prop-2-enal
PubChem CID91351132
Molecular FormulaC15H13NO
Molecular Weight223.28 g/mol
Exact Mass223.10
IUPAC Name3-(5-amino-2-phenylphenyl)prop-2-enal
SMILESNc1ccc(-c2ccccc2)c(C=CC=O)c1
InChIInChI=1S/C15H13NO/c16-14-8-9-15(12-5-2-1-3-6-12)13(11-14)7-4-10-17/h1-11H,16H2
InChIKeyBUODGGXSMMJNBR-UHFFFAOYSA-N
XLogP3.15
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.15
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'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-2-phenylphenyl)prop-2-enal?
The IUPAC name of 3-(5-amino-2-phenylphenyl)prop-2-enal (CID 91351132) is 3-(5-amino-2-phenylphenyl)prop-2-enal.
What is the SMILES notation for 3-(5-amino-2-phenylphenyl)prop-2-enal?
The canonical SMILES for 3-(5-amino-2-phenylphenyl)prop-2-enal is Nc1ccc(-c2ccccc2)c(C=CC=O)c1.
What is the InChIKey of 3-(5-amino-2-phenylphenyl)prop-2-enal?
The InChIKey is BUODGGXSMMJNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c16-14-8-9-15(12-5-2-1-3-6-12)13(11-14)7-4-10-17/h1-11H,16H2.
What are the key properties of 3-(5-amino-2-phenylphenyl)prop-2-enal?
3-(5-amino-2-phenylphenyl)prop-2-enal has a molecular weight of 223.28 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-2-phenylphenyl)prop-2-enal is sourced from PubChem (CID 91351132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).