N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)acetamide

C12H13NO2 — CID 2780190

IUPACN-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1)CCCC2=O
InChIInChI=1S/C12H13NO2/c1-8(14)13-10-5-6-11-9(7-10)3-2-4-12(11)15/h5-7H,2-4H2,1H3,(H,13,14)
InChIKeyWEBCZGJWXXPNHB-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.16
Rot. Bonds1

About N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)acetamide

N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)acetamide (PubChem CID 2780190) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)acetamide
PubChem CID2780190
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC NameN-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)acetamide
SMILESCC(=O)Nc1ccc2c(c1)CCCC2=O
InChIInChI=1S/C12H13NO2/c1-8(14)13-10-5-6-11-9(7-10)3-2-4-12(11)15/h5-7H,2-4H2,1H3,(H,13,14)
InChIKeyWEBCZGJWXXPNHB-UHFFFAOYSA-N
XLogP2.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)acetamide?
The IUPAC name of N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)acetamide (CID 2780190) is N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)acetamide.
What is the SMILES notation for N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)acetamide?
The canonical SMILES for N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)acetamide is CC(=O)Nc1ccc2c(c1)CCCC2=O.
What is the InChIKey of N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)acetamide?
The InChIKey is WEBCZGJWXXPNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-8(14)13-10-5-6-11-9(7-10)3-2-4-12(11)15/h5-7H,2-4H2,1H3,(H,13,14).
What are the key properties of N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)acetamide?
N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)acetamide has a molecular weight of 203.24 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)acetamide is sourced from PubChem (CID 2780190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).