5-amino-5H-naphthalen-1-one

C10H9NO — CID 19902715

IUPAC5-amino-5H-naphthalen-1-one
SMILESNC1C=CC=C2C(=O)C=CC=C21
InChIInChI=1S/C10H9NO/c11-9-5-1-4-8-7(9)3-2-6-10(8)12/h1-6,9H,11H2
InChIKeyXHQCOPHZWBBNOB-UHFFFAOYSA-N
MW159.19 g/mol
LogP0.88
Rot. Bonds

About 5-amino-5H-naphthalen-1-one

5-amino-5H-naphthalen-1-one (PubChem CID 19902715) has the molecular formula C10H9NO and a molecular weight of 159.19 g/mol. Its IUPAC name is 5-amino-5H-naphthalen-1-one.

Molecular Properties

Compound Name5-amino-5H-naphthalen-1-one
PubChem CID19902715
Molecular FormulaC10H9NO
Molecular Weight159.19 g/mol
Exact Mass159.07
IUPAC Name5-amino-5H-naphthalen-1-one
SMILESNC1C=CC=C2C(=O)C=CC=C21
InChIInChI=1S/C10H9NO/c11-9-5-1-4-8-7(9)3-2-6-10(8)12/h1-6,9H,11H2
InChIKeyXHQCOPHZWBBNOB-UHFFFAOYSA-N
XLogP0.88
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-5H-naphthalen-1-one?
The IUPAC name of 5-amino-5H-naphthalen-1-one (CID 19902715) is 5-amino-5H-naphthalen-1-one.
What is the SMILES notation for 5-amino-5H-naphthalen-1-one?
The canonical SMILES for 5-amino-5H-naphthalen-1-one is NC1C=CC=C2C(=O)C=CC=C21.
What is the InChIKey of 5-amino-5H-naphthalen-1-one?
The InChIKey is XHQCOPHZWBBNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO/c11-9-5-1-4-8-7(9)3-2-6-10(8)12/h1-6,9H,11H2.
What are the key properties of 5-amino-5H-naphthalen-1-one?
5-amino-5H-naphthalen-1-one has a molecular weight of 159.19 g/mol, XLogP of 0.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5H-naphthalen-1-one is sourced from PubChem (CID 19902715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).