2-amino-1-phenylethanone

C8H9NO — CID 11952

IUPAC2-amino-1-phenylethanone
SMILESNCC(=O)c1ccccc1
InChIInChI=1S/C8H9NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6,9H2
InChIKeyHEQOJEGTZCTHCF-UHFFFAOYSA-N
MW135.17 g/mol
LogP0.83
Rot. Bonds2

About 2-amino-1-phenylethanone

2-amino-1-phenylethanone (PubChem CID 11952) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 2-amino-1-phenylethanone.

Molecular Properties

Compound Name2-amino-1-phenylethanone
PubChem CID11952
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name2-amino-1-phenylethanone
SMILESNCC(=O)c1ccccc1
InChIInChI=1S/C8H9NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6,9H2
InChIKeyHEQOJEGTZCTHCF-UHFFFAOYSA-N
XLogP0.83
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-phenylethanone?
The IUPAC name of 2-amino-1-phenylethanone (CID 11952) is 2-amino-1-phenylethanone.
What is the SMILES notation for 2-amino-1-phenylethanone?
The canonical SMILES for 2-amino-1-phenylethanone is NCC(=O)c1ccccc1.
What is the InChIKey of 2-amino-1-phenylethanone?
The InChIKey is HEQOJEGTZCTHCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6,9H2.
What are the key properties of 2-amino-1-phenylethanone?
2-amino-1-phenylethanone has a molecular weight of 135.17 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-phenylethanone is sourced from PubChem (CID 11952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).