8-amino-6-methyl-3,4-dihydro-2H-naphthalen-1-one

C11H13NO — CID 10631089

IUPAC8-amino-6-methyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCc1cc(N)c2c(c1)CCCC2=O
InChIInChI=1S/C11H13NO/c1-7-5-8-3-2-4-10(13)11(8)9(12)6-7/h5-6H,2-4,12H2,1H3
InChIKeyNCTRHTWXZGCMAT-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.10
Rot. Bonds

About 8-amino-6-methyl-3,4-dihydro-2H-naphthalen-1-one

8-amino-6-methyl-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 10631089) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 8-amino-6-methyl-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name8-amino-6-methyl-3,4-dihydro-2H-naphthalen-1-one
PubChem CID10631089
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name8-amino-6-methyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCc1cc(N)c2c(c1)CCCC2=O
InChIInChI=1S/C11H13NO/c1-7-5-8-3-2-4-10(13)11(8)9(12)6-7/h5-6H,2-4,12H2,1H3
InChIKeyNCTRHTWXZGCMAT-UHFFFAOYSA-N
XLogP2.10
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-amino-6-methyl-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 8-amino-6-methyl-3,4-dihydro-2H-naphthalen-1-one (CID 10631089) is 8-amino-6-methyl-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 8-amino-6-methyl-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 8-amino-6-methyl-3,4-dihydro-2H-naphthalen-1-one is Cc1cc(N)c2c(c1)CCCC2=O.
What is the InChIKey of 8-amino-6-methyl-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is NCTRHTWXZGCMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-7-5-8-3-2-4-10(13)11(8)9(12)6-7/h5-6H,2-4,12H2,1H3.
What are the key properties of 8-amino-6-methyl-3,4-dihydro-2H-naphthalen-1-one?
8-amino-6-methyl-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 175.23 g/mol, XLogP of 2.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-6-methyl-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 10631089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).