N-[(E)-2-(7-methoxynaphthalen-1-yl)ethenyl]acetamide

C15H15NO2 — CID 71533430

IUPACN-[(E)-2-(7-methoxynaphthalen-1-yl)ethenyl]acetamide
SMILESCOc1ccc2cccc(/C=C/NC(C)=O)c2c1
InChIInChI=1S/C15H15NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-10H,1-2H3,(H,16,17)/b9-8+
InChIKeyDRQVIDXCXZPVOA-CMDGGOBGSA-N
MW241.29 g/mol
LogP2.96
Rot. Bonds3

About N-[(E)-2-(7-methoxynaphthalen-1-yl)ethenyl]acetamide

N-[(E)-2-(7-methoxynaphthalen-1-yl)ethenyl]acetamide (PubChem CID 71533430) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is N-[(E)-2-(7-methoxynaphthalen-1-yl)ethenyl]acetamide.

Molecular Properties

Compound NameN-[(E)-2-(7-methoxynaphthalen-1-yl)ethenyl]acetamide
PubChem CID71533430
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC NameN-[(E)-2-(7-methoxynaphthalen-1-yl)ethenyl]acetamide
SMILESCOc1ccc2cccc(/C=C/NC(C)=O)c2c1
InChIInChI=1S/C15H15NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-10H,1-2H3,(H,16,17)/b9-8+
InChIKeyDRQVIDXCXZPVOA-CMDGGOBGSA-N
XLogP2.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-(7-methoxynaphthalen-1-yl)ethenyl]acetamide?
The IUPAC name of N-[(E)-2-(7-methoxynaphthalen-1-yl)ethenyl]acetamide (CID 71533430) is N-[(E)-2-(7-methoxynaphthalen-1-yl)ethenyl]acetamide.
What is the SMILES notation for N-[(E)-2-(7-methoxynaphthalen-1-yl)ethenyl]acetamide?
The canonical SMILES for N-[(E)-2-(7-methoxynaphthalen-1-yl)ethenyl]acetamide is COc1ccc2cccc(/C=C/NC(C)=O)c2c1.
What is the InChIKey of N-[(E)-2-(7-methoxynaphthalen-1-yl)ethenyl]acetamide?
The InChIKey is DRQVIDXCXZPVOA-CMDGGOBGSA-N. The full InChI is InChI=1S/C15H15NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-10H,1-2H3,(H,16,17)/b9-8+.
What are the key properties of N-[(E)-2-(7-methoxynaphthalen-1-yl)ethenyl]acetamide?
N-[(E)-2-(7-methoxynaphthalen-1-yl)ethenyl]acetamide has a molecular weight of 241.29 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-(7-methoxynaphthalen-1-yl)ethenyl]acetamide is sourced from PubChem (CID 71533430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).