7-amino-4-tert-butyl-4aH-naphthalen-2-one

C14H17NO — CID 126680899

IUPAC7-amino-4-tert-butyl-4aH-naphthalen-2-one
SMILESCC(C)(C)C1=CC(=O)C=C2C=C(N)C=CC21
InChIInChI=1S/C14H17NO/c1-14(2,3)13-8-11(16)7-9-6-10(15)4-5-12(9)13/h4-8,12H,15H2,1-3H3
InChIKeyUIXSYEFRWFOZIX-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.50
Rot. Bonds

About 7-amino-4-tert-butyl-4aH-naphthalen-2-one

7-amino-4-tert-butyl-4aH-naphthalen-2-one (PubChem CID 126680899) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 7-amino-4-tert-butyl-4aH-naphthalen-2-one.

Molecular Properties

Compound Name7-amino-4-tert-butyl-4aH-naphthalen-2-one
PubChem CID126680899
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name7-amino-4-tert-butyl-4aH-naphthalen-2-one
SMILESCC(C)(C)C1=CC(=O)C=C2C=C(N)C=CC21
InChIInChI=1S/C14H17NO/c1-14(2,3)13-8-11(16)7-9-6-10(15)4-5-12(9)13/h4-8,12H,15H2,1-3H3
InChIKeyUIXSYEFRWFOZIX-UHFFFAOYSA-N
XLogP2.50
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-amino-4-tert-butyl-4aH-naphthalen-2-one?
The IUPAC name of 7-amino-4-tert-butyl-4aH-naphthalen-2-one (CID 126680899) is 7-amino-4-tert-butyl-4aH-naphthalen-2-one.
What is the SMILES notation for 7-amino-4-tert-butyl-4aH-naphthalen-2-one?
The canonical SMILES for 7-amino-4-tert-butyl-4aH-naphthalen-2-one is CC(C)(C)C1=CC(=O)C=C2C=C(N)C=CC21.
What is the InChIKey of 7-amino-4-tert-butyl-4aH-naphthalen-2-one?
The InChIKey is UIXSYEFRWFOZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-14(2,3)13-8-11(16)7-9-6-10(15)4-5-12(9)13/h4-8,12H,15H2,1-3H3.
What are the key properties of 7-amino-4-tert-butyl-4aH-naphthalen-2-one?
7-amino-4-tert-butyl-4aH-naphthalen-2-one has a molecular weight of 215.30 g/mol, XLogP of 2.50, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-4-tert-butyl-4aH-naphthalen-2-one is sourced from PubChem (CID 126680899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).