2-amino-2H-anthracen-1-one

C14H11NO — CID 70443209

IUPAC2-amino-2H-anthracen-1-one
SMILESNC1C=Cc2cc3ccccc3cc2C1=O
InChIInChI=1S/C14H11NO/c15-13-6-5-11-7-9-3-1-2-4-10(9)8-12(11)14(13)16/h1-8,13H,15H2
InChIKeyVSYGVUOFMLRDFK-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.38
Rot. Bonds

About 2-amino-2H-anthracen-1-one

2-amino-2H-anthracen-1-one (PubChem CID 70443209) has the molecular formula C14H11NO and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-amino-2H-anthracen-1-one.

Molecular Properties

Compound Name2-amino-2H-anthracen-1-one
PubChem CID70443209
Molecular FormulaC14H11NO
Molecular Weight209.25 g/mol
Exact Mass209.08
IUPAC Name2-amino-2H-anthracen-1-one
SMILESNC1C=Cc2cc3ccccc3cc2C1=O
InChIInChI=1S/C14H11NO/c15-13-6-5-11-7-9-3-1-2-4-10(9)8-12(11)14(13)16/h1-8,13H,15H2
InChIKeyVSYGVUOFMLRDFK-UHFFFAOYSA-N
XLogP2.38
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(2-Naphthyl)-2-(1-piperidinyl)-1-propanone hydrochloride
CID 2845132
1-Naphthalen-2-yl-2-(propan-2-ylamino)propan-1-one
CID 3063181
7-Amino-1,4-diphenyl-5,7,8,9-tetrahydrobenzo[7]annulen-6-one;hydrochloride
CID 56668811
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Frequently Asked Questions

What is the IUPAC name of 2-amino-2H-anthracen-1-one?
The IUPAC name of 2-amino-2H-anthracen-1-one (CID 70443209) is 2-amino-2H-anthracen-1-one.
What is the SMILES notation for 2-amino-2H-anthracen-1-one?
The canonical SMILES for 2-amino-2H-anthracen-1-one is NC1C=Cc2cc3ccccc3cc2C1=O.
What is the InChIKey of 2-amino-2H-anthracen-1-one?
The InChIKey is VSYGVUOFMLRDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO/c15-13-6-5-11-7-9-3-1-2-4-10(9)8-12(11)14(13)16/h1-8,13H,15H2.
What are the key properties of 2-amino-2H-anthracen-1-one?
2-amino-2H-anthracen-1-one has a molecular weight of 209.25 g/mol, XLogP of 2.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2H-anthracen-1-one is sourced from PubChem (CID 70443209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).