N-[2-(1,2-dihydroacenaphthylen-1-yl)ethyl]acetamide

C16H17NO — CID 10800029

IUPACN-[2-(1,2-dihydroacenaphthylen-1-yl)ethyl]acetamide
SMILESCC(=O)NCCC1Cc2cccc3cccc1c23
InChIInChI=1S/C16H17NO/c1-11(18)17-9-8-13-10-14-6-2-4-12-5-3-7-15(13)16(12)14/h2-7,13H,8-10H2,1H3,(H,17,18)
InChIKeyMKXJFIHECBDMDM-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.01
Rot. Bonds3

About N-[2-(1,2-dihydroacenaphthylen-1-yl)ethyl]acetamide

N-[2-(1,2-dihydroacenaphthylen-1-yl)ethyl]acetamide (PubChem CID 10800029) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[2-(1,2-dihydroacenaphthylen-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(1,2-dihydroacenaphthylen-1-yl)ethyl]acetamide
PubChem CID10800029
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC NameN-[2-(1,2-dihydroacenaphthylen-1-yl)ethyl]acetamide
SMILESCC(=O)NCCC1Cc2cccc3cccc1c23
InChIInChI=1S/C16H17NO/c1-11(18)17-9-8-13-10-14-6-2-4-12-5-3-7-15(13)16(12)14/h2-7,13H,8-10H2,1H3,(H,17,18)
InChIKeyMKXJFIHECBDMDM-UHFFFAOYSA-N
XLogP3.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2-dihydroacenaphthylen-1-yl)ethyl]acetamide?
The IUPAC name of N-[2-(1,2-dihydroacenaphthylen-1-yl)ethyl]acetamide (CID 10800029) is N-[2-(1,2-dihydroacenaphthylen-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(1,2-dihydroacenaphthylen-1-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(1,2-dihydroacenaphthylen-1-yl)ethyl]acetamide is CC(=O)NCCC1Cc2cccc3cccc1c23.
What is the InChIKey of N-[2-(1,2-dihydroacenaphthylen-1-yl)ethyl]acetamide?
The InChIKey is MKXJFIHECBDMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-11(18)17-9-8-13-10-14-6-2-4-12-5-3-7-15(13)16(12)14/h2-7,13H,8-10H2,1H3,(H,17,18).
What are the key properties of N-[2-(1,2-dihydroacenaphthylen-1-yl)ethyl]acetamide?
N-[2-(1,2-dihydroacenaphthylen-1-yl)ethyl]acetamide has a molecular weight of 239.32 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2-dihydroacenaphthylen-1-yl)ethyl]acetamide is sourced from PubChem (CID 10800029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).