N-[2-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyran-3-yl]acetamide

C17H17NO3 — CID 118706333

IUPACN-[2-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyran-3-yl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccc3c(c2)CCCC3)oc1=O
InChIInChI=1S/C17H17NO3/c1-11(19)18-15-8-9-16(21-17(15)20)14-7-6-12-4-2-3-5-13(12)10-14/h6-10H,2-5H2,1H3,(H,18,19)
InChIKeyWWISOGBXQPLHSQ-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.14
Rot. Bonds2

About N-[2-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyran-3-yl]acetamide

N-[2-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyran-3-yl]acetamide (PubChem CID 118706333) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[2-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyran-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyran-3-yl]acetamide
PubChem CID118706333
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC NameN-[2-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyran-3-yl]acetamide
SMILESCC(=O)Nc1ccc(-c2ccc3c(c2)CCCC3)oc1=O
InChIInChI=1S/C17H17NO3/c1-11(19)18-15-8-9-16(21-17(15)20)14-7-6-12-4-2-3-5-13(12)10-14/h6-10H,2-5H2,1H3,(H,18,19)
InChIKeyWWISOGBXQPLHSQ-UHFFFAOYSA-N
XLogP3.14
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyran-3-yl]acetamide?
The IUPAC name of N-[2-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyran-3-yl]acetamide (CID 118706333) is N-[2-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyran-3-yl]acetamide.
What is the SMILES notation for N-[2-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyran-3-yl]acetamide?
The canonical SMILES for N-[2-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyran-3-yl]acetamide is CC(=O)Nc1ccc(-c2ccc3c(c2)CCCC3)oc1=O.
What is the InChIKey of N-[2-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyran-3-yl]acetamide?
The InChIKey is WWISOGBXQPLHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-11(19)18-15-8-9-16(21-17(15)20)14-7-6-12-4-2-3-5-13(12)10-14/h6-10H,2-5H2,1H3,(H,18,19).
What are the key properties of N-[2-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyran-3-yl]acetamide?
N-[2-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyran-3-yl]acetamide has a molecular weight of 283.33 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-6-(5,6,7,8-tetrahydronaphthalen-2-yl)pyran-3-yl]acetamide is sourced from PubChem (CID 118706333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).