N-(4,4a,5,6-tetrahydronaphthalen-2-yl)acetamide

C12H15NO — CID 68962370

IUPACN-(4,4a,5,6-tetrahydronaphthalen-2-yl)acetamide
SMILESCC(=O)NC1=CCC2CCC=CC2=C1
InChIInChI=1S/C12H15NO/c1-9(14)13-12-7-6-10-4-2-3-5-11(10)8-12/h3,5,7-8,10H,2,4,6H2,1H3,(H,13,14)
InChIKeyXFRRAOVOWOWNRW-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.30
Rot. Bonds1

About N-(4,4a,5,6-tetrahydronaphthalen-2-yl)acetamide

N-(4,4a,5,6-tetrahydronaphthalen-2-yl)acetamide (PubChem CID 68962370) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is N-(4,4a,5,6-tetrahydronaphthalen-2-yl)acetamide.

Molecular Properties

Compound NameN-(4,4a,5,6-tetrahydronaphthalen-2-yl)acetamide
PubChem CID68962370
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC NameN-(4,4a,5,6-tetrahydronaphthalen-2-yl)acetamide
SMILESCC(=O)NC1=CCC2CCC=CC2=C1
InChIInChI=1S/C12H15NO/c1-9(14)13-12-7-6-10-4-2-3-5-11(10)8-12/h3,5,7-8,10H,2,4,6H2,1H3,(H,13,14)
InChIKeyXFRRAOVOWOWNRW-UHFFFAOYSA-N
XLogP2.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4,4a,5,6-tetrahydronaphthalen-2-yl)acetamide?
The IUPAC name of N-(4,4a,5,6-tetrahydronaphthalen-2-yl)acetamide (CID 68962370) is N-(4,4a,5,6-tetrahydronaphthalen-2-yl)acetamide.
What is the SMILES notation for N-(4,4a,5,6-tetrahydronaphthalen-2-yl)acetamide?
The canonical SMILES for N-(4,4a,5,6-tetrahydronaphthalen-2-yl)acetamide is CC(=O)NC1=CCC2CCC=CC2=C1.
What is the InChIKey of N-(4,4a,5,6-tetrahydronaphthalen-2-yl)acetamide?
The InChIKey is XFRRAOVOWOWNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-9(14)13-12-7-6-10-4-2-3-5-11(10)8-12/h3,5,7-8,10H,2,4,6H2,1H3,(H,13,14).
What are the key properties of N-(4,4a,5,6-tetrahydronaphthalen-2-yl)acetamide?
N-(4,4a,5,6-tetrahydronaphthalen-2-yl)acetamide has a molecular weight of 189.26 g/mol, XLogP of 2.30, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4a,5,6-tetrahydronaphthalen-2-yl)acetamide is sourced from PubChem (CID 68962370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).