N-[(8-methoxy-1,2-dihydroacenaphthylen-1-yl)methyl]acetamide

C16H17NO2 — CID 10562968

IUPACN-[(8-methoxy-1,2-dihydroacenaphthylen-1-yl)methyl]acetamide
SMILESCOc1ccc2cccc3c2c1C(CNC(C)=O)C3
InChIInChI=1S/C16H17NO2/c1-10(18)17-9-13-8-12-5-3-4-11-6-7-14(19-2)16(13)15(11)12/h3-7,13H,8-9H2,1-2H3,(H,17,18)
InChIKeyGVOWMRKLYWGZOG-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.62
Rot. Bonds3

About N-[(8-methoxy-1,2-dihydroacenaphthylen-1-yl)methyl]acetamide

N-[(8-methoxy-1,2-dihydroacenaphthylen-1-yl)methyl]acetamide (PubChem CID 10562968) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[(8-methoxy-1,2-dihydroacenaphthylen-1-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(8-methoxy-1,2-dihydroacenaphthylen-1-yl)methyl]acetamide
PubChem CID10562968
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC NameN-[(8-methoxy-1,2-dihydroacenaphthylen-1-yl)methyl]acetamide
SMILESCOc1ccc2cccc3c2c1C(CNC(C)=O)C3
InChIInChI=1S/C16H17NO2/c1-10(18)17-9-13-8-12-5-3-4-11-6-7-14(19-2)16(13)15(11)12/h3-7,13H,8-9H2,1-2H3,(H,17,18)
InChIKeyGVOWMRKLYWGZOG-UHFFFAOYSA-N
XLogP2.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(8-methoxy-1,2-dihydroacenaphthylen-1-yl)methyl]acetamide?
The IUPAC name of N-[(8-methoxy-1,2-dihydroacenaphthylen-1-yl)methyl]acetamide (CID 10562968) is N-[(8-methoxy-1,2-dihydroacenaphthylen-1-yl)methyl]acetamide.
What is the SMILES notation for N-[(8-methoxy-1,2-dihydroacenaphthylen-1-yl)methyl]acetamide?
The canonical SMILES for N-[(8-methoxy-1,2-dihydroacenaphthylen-1-yl)methyl]acetamide is COc1ccc2cccc3c2c1C(CNC(C)=O)C3.
What is the InChIKey of N-[(8-methoxy-1,2-dihydroacenaphthylen-1-yl)methyl]acetamide?
The InChIKey is GVOWMRKLYWGZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-10(18)17-9-13-8-12-5-3-4-11-6-7-14(19-2)16(13)15(11)12/h3-7,13H,8-9H2,1-2H3,(H,17,18).
What are the key properties of N-[(8-methoxy-1,2-dihydroacenaphthylen-1-yl)methyl]acetamide?
N-[(8-methoxy-1,2-dihydroacenaphthylen-1-yl)methyl]acetamide has a molecular weight of 255.32 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-methoxy-1,2-dihydroacenaphthylen-1-yl)methyl]acetamide is sourced from PubChem (CID 10562968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).