N-[3-(1-oxo-2,3-dihydroinden-4-yl)prop-2-enyl]acetamide

C14H15NO2 — CID 169465620

IUPACN-[3-(1-oxo-2,3-dihydroinden-4-yl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1cccc2c1CCC2=O
InChIInChI=1S/C14H15NO2/c1-10(16)15-9-3-5-11-4-2-6-13-12(11)7-8-14(13)17/h2-6H,7-9H2,1H3,(H,15,16)
InChIKeyVEABCIYGLAUCCL-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.96
Rot. Bonds3

About N-[3-(1-oxo-2,3-dihydroinden-4-yl)prop-2-enyl]acetamide

N-[3-(1-oxo-2,3-dihydroinden-4-yl)prop-2-enyl]acetamide (PubChem CID 169465620) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is N-[3-(1-oxo-2,3-dihydroinden-4-yl)prop-2-enyl]acetamide.

Molecular Properties

Compound NameN-[3-(1-oxo-2,3-dihydroinden-4-yl)prop-2-enyl]acetamide
PubChem CID169465620
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC NameN-[3-(1-oxo-2,3-dihydroinden-4-yl)prop-2-enyl]acetamide
SMILESCC(=O)NCC=Cc1cccc2c1CCC2=O
InChIInChI=1S/C14H15NO2/c1-10(16)15-9-3-5-11-4-2-6-13-12(11)7-8-14(13)17/h2-6H,7-9H2,1H3,(H,15,16)
InChIKeyVEABCIYGLAUCCL-UHFFFAOYSA-N
XLogP1.96
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(2,3-dichlorophenyl)prop-2-enyl]acetamide
CID 169464992
N-(3-naphthalen-1-ylprop-2-enyl)acetamide
CID 169465612
N-[3-(2-amino-3-methylphenyl)prop-2-enyl]acetamide
CID 169465158
4-(1-oxo-2,3-dihydroinden-4-yl)but-3-enenitrile
CID 170799851
3-(1-oxo-2,3-dihydroinden-4-yl)prop-2-enamide
CID 169481923
N-[3-(3-fluoro-2-hydroxyphenyl)prop-2-enyl]acetamide
CID 169465029
3-(3-acetamidoprop-1-enyl)-2-methylbenzoic acid
CID 169465735
N-[3-(1,2-dihydroacenaphthylen-5-yl)prop-2-enyl]acetamide
CID 169466362
N-[3-(4-oxo-2,3-dihydrochromen-6-yl)prop-2-enyl]acetamide
CID 169466156
N-[3-(2-methoxyphenyl)prop-2-enyl]acetamide
CID 169465048
N-[3-[2-(cyanomethyl)phenyl]prop-2-enyl]acetamide
CID 169466550
N-[3-(2-ethoxyphenyl)prop-2-enyl]acetamide
CID 169465357

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-oxo-2,3-dihydroinden-4-yl)prop-2-enyl]acetamide?
The IUPAC name of N-[3-(1-oxo-2,3-dihydroinden-4-yl)prop-2-enyl]acetamide (CID 169465620) is N-[3-(1-oxo-2,3-dihydroinden-4-yl)prop-2-enyl]acetamide.
What is the SMILES notation for N-[3-(1-oxo-2,3-dihydroinden-4-yl)prop-2-enyl]acetamide?
The canonical SMILES for N-[3-(1-oxo-2,3-dihydroinden-4-yl)prop-2-enyl]acetamide is CC(=O)NCC=Cc1cccc2c1CCC2=O.
What is the InChIKey of N-[3-(1-oxo-2,3-dihydroinden-4-yl)prop-2-enyl]acetamide?
The InChIKey is VEABCIYGLAUCCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-10(16)15-9-3-5-11-4-2-6-13-12(11)7-8-14(13)17/h2-6H,7-9H2,1H3,(H,15,16).
What are the key properties of N-[3-(1-oxo-2,3-dihydroinden-4-yl)prop-2-enyl]acetamide?
N-[3-(1-oxo-2,3-dihydroinden-4-yl)prop-2-enyl]acetamide has a molecular weight of 229.28 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-oxo-2,3-dihydroinden-4-yl)prop-2-enyl]acetamide is sourced from PubChem (CID 169465620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).