2-(cyclopenten-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone

C16H19NO — CID 57050703

IUPAC2-(cyclopenten-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
SMILESO=C(CC1=CCCC1)N1CCc2ccccc2C1
InChIInChI=1S/C16H19NO/c18-16(11-13-5-1-2-6-13)17-10-9-14-7-3-4-8-15(14)12-17/h3-5,7-8H,1-2,6,9-12H2
InChIKeyLEBMEZBPNKVTIA-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.07
Rot. Bonds2

About 2-(cyclopenten-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone

2-(cyclopenten-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone (PubChem CID 57050703) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-(cyclopenten-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone.

Molecular Properties

Compound Name2-(cyclopenten-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
PubChem CID57050703
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name2-(cyclopenten-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
SMILESO=C(CC1=CCCC1)N1CCc2ccccc2C1
InChIInChI=1S/C16H19NO/c18-16(11-13-5-1-2-6-13)17-10-9-14-7-3-4-8-15(14)12-17/h3-5,7-8H,1-2,6,9-12H2
InChIKeyLEBMEZBPNKVTIA-UHFFFAOYSA-N
XLogP3.07
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(cyclopenten-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxyethanone
CID 16769566
5-(3,4-dihydro-1H-isoquinolin-2-yl)-5-oxopentanoic acid
CID 27396946
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-sulfanylphenyl)ethanone
CID 107020839
N-[2-(cyclohexen-1-yl)ethyl]-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]methanesulfonamide
CID 113149130
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypropan-1-one
CID 82112750
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-(dimethylamino)phenyl]ethanone
CID 90895697
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-2-phenylacetamide
CID 2567857
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(dimethylamino)ethanone
CID 4016207
1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-piperidin-1-ylpropan-1-one
CID 110688293
2-(3,4-dichlorophenyl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 2440562
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(1-methylpyrrol-3-yl)ethanone
CID 110768939
4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]benzonitrile
CID 62404386

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopenten-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone?
The IUPAC name of 2-(cyclopenten-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone (CID 57050703) is 2-(cyclopenten-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone.
What is the SMILES notation for 2-(cyclopenten-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone?
The canonical SMILES for 2-(cyclopenten-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone is O=C(CC1=CCCC1)N1CCc2ccccc2C1.
What is the InChIKey of 2-(cyclopenten-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone?
The InChIKey is LEBMEZBPNKVTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c18-16(11-13-5-1-2-6-13)17-10-9-14-7-3-4-8-15(14)12-17/h3-5,7-8H,1-2,6,9-12H2.
What are the key properties of 2-(cyclopenten-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone?
2-(cyclopenten-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone has a molecular weight of 241.33 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopenten-1-yl)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone is sourced from PubChem (CID 57050703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).