2-amino-2H-acenaphthylen-1-one

C12H9NO — CID 603051

IUPAC2-amino-2H-acenaphthylen-1-one
SMILESNC1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C12H9NO/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)14/h1-6,11H,13H2
InChIKeyAUHZCMLIXMOZLM-UHFFFAOYSA-N
MW183.21 g/mol
LogP2.04
Rot. Bonds

About 2-amino-2H-acenaphthylen-1-one

2-amino-2H-acenaphthylen-1-one (PubChem CID 603051) has the molecular formula C12H9NO and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-amino-2H-acenaphthylen-1-one.

Molecular Properties

Compound Name2-amino-2H-acenaphthylen-1-one
PubChem CID603051
Molecular FormulaC12H9NO
Molecular Weight183.21 g/mol
Exact Mass183.07
IUPAC Name2-amino-2H-acenaphthylen-1-one
SMILESNC1C(=O)c2cccc3cccc1c23
InChIInChI=1S/C12H9NO/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)14/h1-6,11H,13H2
InChIKeyAUHZCMLIXMOZLM-UHFFFAOYSA-N
XLogP2.04
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-trimethylsilyloxy-2H-acenaphthylen-1-one
CID 11207595
(4-aminophenyl)-(2,3-diamino-3H-phenalen-1-yl)methanone
CID 70458839
gadolinium;2-hydroxybenzo[de]isoquinoline-1,3-dione
CID 174736073
(2R)-2-[(S)-phenyl(phenylsulfanyl)methyl]-2H-acenaphthylen-1-one
CID 35581029
1H-phenalene-1,2-diamine;dihydrochloride
CID 174160144
2-(2,3-dimethylphenyl)-1H-phenalen-1-amine
CID 175022642
4-[2-(2-oxo-1H-acenaphthylen-1-yl)hydrazinyl]benzonitrile
CID 171904866
(4R)-4-hydroxy-3-oxatetracyclo[7.6.2.05,17.012,16]heptadeca-1(15),5,7,9(17),10,12(16),13-heptaen-2-one
CID 92860879
3-pyren-1-yl-3H-2-benzofuran-1-one
CID 135030435
(4S)-4-[di(propan-2-yl)amino]-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaen-2-one
CID 1233909
(1R)-1,2-dihydroacenaphthylen-1-amine;hydrochloride
CID 67331166
2-aminophenalen-1-one
CID 13013288

Frequently Asked Questions

What is the IUPAC name of 2-amino-2H-acenaphthylen-1-one?
The IUPAC name of 2-amino-2H-acenaphthylen-1-one (CID 603051) is 2-amino-2H-acenaphthylen-1-one.
What is the SMILES notation for 2-amino-2H-acenaphthylen-1-one?
The canonical SMILES for 2-amino-2H-acenaphthylen-1-one is NC1C(=O)c2cccc3cccc1c23.
What is the InChIKey of 2-amino-2H-acenaphthylen-1-one?
The InChIKey is AUHZCMLIXMOZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO/c13-11-8-5-1-3-7-4-2-6-9(10(7)8)12(11)14/h1-6,11H,13H2.
What are the key properties of 2-amino-2H-acenaphthylen-1-one?
2-amino-2H-acenaphthylen-1-one has a molecular weight of 183.21 g/mol, XLogP of 2.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2H-acenaphthylen-1-one is sourced from PubChem (CID 603051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).