N-(3,4,4a,5,6,7-hexahydronaphthalen-2-yl)acetamide

C12H17NO — CID 57311995

IUPACN-(3,4,4a,5,6,7-hexahydronaphthalen-2-yl)acetamide
SMILESCC(=O)NC1=CC2=CCCCC2CC1
InChIInChI=1S/C12H17NO/c1-9(14)13-12-7-6-10-4-2-3-5-11(10)8-12/h5,8,10H,2-4,6-7H2,1H3,(H,13,14)
InChIKeyFZQLXGODOZOPTO-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.53
Rot. Bonds1

About N-(3,4,4a,5,6,7-hexahydronaphthalen-2-yl)acetamide

N-(3,4,4a,5,6,7-hexahydronaphthalen-2-yl)acetamide (PubChem CID 57311995) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is N-(3,4,4a,5,6,7-hexahydronaphthalen-2-yl)acetamide.

Molecular Properties

Compound NameN-(3,4,4a,5,6,7-hexahydronaphthalen-2-yl)acetamide
PubChem CID57311995
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC NameN-(3,4,4a,5,6,7-hexahydronaphthalen-2-yl)acetamide
SMILESCC(=O)NC1=CC2=CCCCC2CC1
InChIInChI=1S/C12H17NO/c1-9(14)13-12-7-6-10-4-2-3-5-11(10)8-12/h5,8,10H,2-4,6-7H2,1H3,(H,13,14)
InChIKeyFZQLXGODOZOPTO-UHFFFAOYSA-N
XLogP2.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3,4,4a,5,6,7-hexahydronaphthalen-2-yl)acetamide?
The IUPAC name of N-(3,4,4a,5,6,7-hexahydronaphthalen-2-yl)acetamide (CID 57311995) is N-(3,4,4a,5,6,7-hexahydronaphthalen-2-yl)acetamide.
What is the SMILES notation for N-(3,4,4a,5,6,7-hexahydronaphthalen-2-yl)acetamide?
The canonical SMILES for N-(3,4,4a,5,6,7-hexahydronaphthalen-2-yl)acetamide is CC(=O)NC1=CC2=CCCCC2CC1.
What is the InChIKey of N-(3,4,4a,5,6,7-hexahydronaphthalen-2-yl)acetamide?
The InChIKey is FZQLXGODOZOPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-9(14)13-12-7-6-10-4-2-3-5-11(10)8-12/h5,8,10H,2-4,6-7H2,1H3,(H,13,14).
What are the key properties of N-(3,4,4a,5,6,7-hexahydronaphthalen-2-yl)acetamide?
N-(3,4,4a,5,6,7-hexahydronaphthalen-2-yl)acetamide has a molecular weight of 191.27 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4,4a,5,6,7-hexahydronaphthalen-2-yl)acetamide is sourced from PubChem (CID 57311995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).