2-amino-3-phenylprop-1-en-1-one

C9H9NO — CID 19968660

IUPAC2-amino-3-phenylprop-1-en-1-one
SMILESNC(=C=O)Cc1ccccc1
InChIInChI=1S/C9H9NO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5H,6,10H2
InChIKeyZZYKVEQHGKBCFH-UHFFFAOYSA-N
MW147.18 g/mol
LogP0.90
Rot. Bonds2

About 2-amino-3-phenylprop-1-en-1-one

2-amino-3-phenylprop-1-en-1-one (PubChem CID 19968660) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 2-amino-3-phenylprop-1-en-1-one.

Molecular Properties

Compound Name2-amino-3-phenylprop-1-en-1-one
PubChem CID19968660
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name2-amino-3-phenylprop-1-en-1-one
SMILESNC(=C=O)Cc1ccccc1
InChIInChI=1S/C9H9NO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5H,6,10H2
InChIKeyZZYKVEQHGKBCFH-UHFFFAOYSA-N
XLogP0.90
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-phenylprop-1-en-1-one?
The IUPAC name of 2-amino-3-phenylprop-1-en-1-one (CID 19968660) is 2-amino-3-phenylprop-1-en-1-one.
What is the SMILES notation for 2-amino-3-phenylprop-1-en-1-one?
The canonical SMILES for 2-amino-3-phenylprop-1-en-1-one is NC(=C=O)Cc1ccccc1.
What is the InChIKey of 2-amino-3-phenylprop-1-en-1-one?
The InChIKey is ZZYKVEQHGKBCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5H,6,10H2.
What are the key properties of 2-amino-3-phenylprop-1-en-1-one?
2-amino-3-phenylprop-1-en-1-one has a molecular weight of 147.18 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-phenylprop-1-en-1-one is sourced from PubChem (CID 19968660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).