6-(cyclopropylamino)-3,4-dihydro-2H-naphthalen-1-one

C13H15NO — CID 83819396

IUPAC6-(cyclopropylamino)-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2cc(NC3CC3)ccc21
InChIInChI=1S/C13H15NO/c15-13-3-1-2-9-8-11(6-7-12(9)13)14-10-4-5-10/h6-8,10,14H,1-5H2
InChIKeyNGAGHRBUSCRTII-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.78
Rot. Bonds2

About 6-(cyclopropylamino)-3,4-dihydro-2H-naphthalen-1-one

6-(cyclopropylamino)-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 83819396) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 6-(cyclopropylamino)-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name6-(cyclopropylamino)-3,4-dihydro-2H-naphthalen-1-one
PubChem CID83819396
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name6-(cyclopropylamino)-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2cc(NC3CC3)ccc21
InChIInChI=1S/C13H15NO/c15-13-3-1-2-9-8-11(6-7-12(9)13)14-10-4-5-10/h6-8,10,14H,1-5H2
InChIKeyNGAGHRBUSCRTII-UHFFFAOYSA-N
XLogP2.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopropylamino)-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 6-(cyclopropylamino)-3,4-dihydro-2H-naphthalen-1-one (CID 83819396) is 6-(cyclopropylamino)-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 6-(cyclopropylamino)-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 6-(cyclopropylamino)-3,4-dihydro-2H-naphthalen-1-one is O=C1CCCc2cc(NC3CC3)ccc21.
What is the InChIKey of 6-(cyclopropylamino)-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is NGAGHRBUSCRTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c15-13-3-1-2-9-8-11(6-7-12(9)13)14-10-4-5-10/h6-8,10,14H,1-5H2.
What are the key properties of 6-(cyclopropylamino)-3,4-dihydro-2H-naphthalen-1-one?
6-(cyclopropylamino)-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 201.27 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopropylamino)-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 83819396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).