N-[3-(1,2-dihydroacenaphthylen-5-yl)prop-2-enyl]acetamide

C17H17NO — CID 169466362

IUPACN-[3-(1,2-dihydroacenaphthylen-5-yl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1ccc2c3c(cccc13)CC2
InChIInChI=1S/C17H17NO/c1-12(19)18-11-3-5-13-7-8-15-10-9-14-4-2-6-16(13)17(14)15/h2-8H,9-11H2,1H3,(H,18,19)
InChIKeyOQKXLCFQCOXMLS-UHFFFAOYSA-N
MW251.33 g/mol
LogP3.09
Rot. Bonds3

About N-[3-(1,2-dihydroacenaphthylen-5-yl)prop-2-enyl]acetamide

N-[3-(1,2-dihydroacenaphthylen-5-yl)prop-2-enyl]acetamide (PubChem CID 169466362) has the molecular formula C17H17NO and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[3-(1,2-dihydroacenaphthylen-5-yl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-(1,2-dihydroacenaphthylen-5-yl)prop-2-enyl]acetamide
PubChem CID169466362
Molecular FormulaC17H17NO
Molecular Weight251.33 g/mol
Exact Mass251.13
IUPAC NameN-[3-(1,2-dihydroacenaphthylen-5-yl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1ccc2c3c(cccc13)CC2
InChIInChI=1S/C17H17NO/c1-12(19)18-11-3-5-13-7-8-15-10-9-14-4-2-6-16(13)17(14)15/h2-8H,9-11H2,1H3,(H,18,19)
InChIKeyOQKXLCFQCOXMLS-UHFFFAOYSA-N
XLogP3.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 4-(1,2-dihydroacenaphthylen-5-yl)but-3-enoate
CID 170501790
S-[3-(1,2-dihydroacenaphthylen-5-yl)prop-2-enyl] ethanethioate
CID 169458118
N-(3-naphthalen-1-ylprop-2-enyl)acetamide
CID 169465612
5-(3-bromoprop-1-enyl)-1,2-dihydroacenaphthylene
CID 169476332
ethyl 4-(1,2-dihydroacenaphthylen-5-yl)but-3-enoate
CID 170797038
methyl 3-(1,2-dihydroacenaphthylen-5-yl)prop-2-enoate
CID 169479674
N-(3-quinolin-5-ylprop-2-enyl)acetamide
CID 169465651
N-[3-(1-oxo-2,3-dihydroinden-4-yl)prop-2-enyl]acetamide
CID 169465620
N-[3-(2,3-dichlorophenyl)prop-2-enyl]acetamide
CID 169464992
5-(3-azidoprop-1-enyl)-1,2-dihydroacenaphthylene
CID 169462599
N-[3-(2-amino-3-methylphenyl)prop-2-enyl]acetamide
CID 169465158
N-[3-(1-benzofuran-3-yl)prop-2-enyl]acetamide
CID 169465577

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,2-dihydroacenaphthylen-5-yl)prop-2-enyl]acetamide?
The IUPAC name of N-[3-(1,2-dihydroacenaphthylen-5-yl)prop-2-enyl]acetamide (CID 169466362) is N-[3-(1,2-dihydroacenaphthylen-5-yl)prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-(1,2-dihydroacenaphthylen-5-yl)prop-2-enyl]acetamide?
The canonical SMILES for N-[3-(1,2-dihydroacenaphthylen-5-yl)prop-2-enyl]acetamide is CC(=O)NCC=Cc1ccc2c3c(cccc13)CC2.
What is the InChIKey of N-[3-(1,2-dihydroacenaphthylen-5-yl)prop-2-enyl]acetamide?
The InChIKey is OQKXLCFQCOXMLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO/c1-12(19)18-11-3-5-13-7-8-15-10-9-14-4-2-6-16(13)17(14)15/h2-8H,9-11H2,1H3,(H,18,19).
What are the key properties of N-[3-(1,2-dihydroacenaphthylen-5-yl)prop-2-enyl]acetamide?
N-[3-(1,2-dihydroacenaphthylen-5-yl)prop-2-enyl]acetamide has a molecular weight of 251.33 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,2-dihydroacenaphthylen-5-yl)prop-2-enyl]acetamide is sourced from PubChem (CID 169466362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).