2-(2-chlorophenyl)-1-(3-cyclopropylidene-8-azabicyclo[3.2.1]octan-8-yl)ethanone

C18H20ClNO — CID 126855369

IUPAC2-(2-chlorophenyl)-1-(3-cyclopropylidene-8-azabicyclo[3.2.1]octan-8-yl)ethanone
SMILESO=C(Cc1ccccc1Cl)N1C2CCC1CC(=C1CC1)C2
InChIInChI=1S/C18H20ClNO/c19-17-4-2-1-3-13(17)11-18(21)20-15-7-8-16(20)10-14(9-15)12-5-6-12/h1-4,15-16H,5-11H2
InChIKeyYSVLUUVUNVMSEU-UHFFFAOYSA-N
MW301.82 g/mol
LogP4.13
Rot. Bonds2

About 2-(2-chlorophenyl)-1-(3-cyclopropylidene-8-azabicyclo[3.2.1]octan-8-yl)ethanone

2-(2-chlorophenyl)-1-(3-cyclopropylidene-8-azabicyclo[3.2.1]octan-8-yl)ethanone (PubChem CID 126855369) has the molecular formula C18H20ClNO and a molecular weight of 301.82 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(3-cyclopropylidene-8-azabicyclo[3.2.1]octan-8-yl)ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(3-cyclopropylidene-8-azabicyclo[3.2.1]octan-8-yl)ethanone
PubChem CID126855369
Molecular FormulaC18H20ClNO
Molecular Weight301.82 g/mol
Exact Mass301.12
IUPAC Name2-(2-chlorophenyl)-1-(3-cyclopropylidene-8-azabicyclo[3.2.1]octan-8-yl)ethanone
SMILESO=C(Cc1ccccc1Cl)N1C2CCC1CC(=C1CC1)C2
InChIInChI=1S/C18H20ClNO/c19-17-4-2-1-3-13(17)11-18(21)20-15-7-8-16(20)10-14(9-15)12-5-6-12/h1-4,15-16H,5-11H2
InChIKeyYSVLUUVUNVMSEU-UHFFFAOYSA-N
XLogP4.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(2-chlorophenyl)-1-(3-cyclopropylidene-8-azabicyclo[3.2.1]octan-8-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-cyclobutylidene-8-azabicyclo[3.2.1]octan-8-yl)-2-(2-methoxyphenyl)ethanone
CID 138989022
1-[(1R,5R)-8-azabicyclo[3.2.1]oct-2-en-8-yl]-2-(2-chlorophenyl)ethanone
CID 99903708
2-(2-chlorophenyl)-1-(2,6-dimethylpiperazin-1-yl)ethanone
CID 63910205
1-[(3R)-3-aminopiperidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 102978347
1-(3-chloro-8-azabicyclo[3.2.1]octan-8-yl)-2-(2-fluorophenyl)ethanone
CID 63762253
1-[4-(chloromethyl)piperidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 63397989
1-(3-cyclopropylidene-8-azabicyclo[3.2.1]octan-8-yl)-2-(4-fluorophenoxy)ethanone
CID 139028925
3-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 119306662
2-(2-chlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 90382743
1-[4-(bromomethyl)piperidin-1-yl]-2-(2-chlorophenyl)ethanone
CID 80677921
1-(3-bromopyrrolidin-1-yl)-2-(2-chlorophenyl)ethanone
CID 80677513
2-(2-chlorophenyl)-1-cyclobutylethanone
CID 61054249

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(3-cyclopropylidene-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-(3-cyclopropylidene-8-azabicyclo[3.2.1]octan-8-yl)ethanone (CID 126855369) is 2-(2-chlorophenyl)-1-(3-cyclopropylidene-8-azabicyclo[3.2.1]octan-8-yl)ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(3-cyclopropylidene-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-(3-cyclopropylidene-8-azabicyclo[3.2.1]octan-8-yl)ethanone is O=C(Cc1ccccc1Cl)N1C2CCC1CC(=C1CC1)C2.
What is the InChIKey of 2-(2-chlorophenyl)-1-(3-cyclopropylidene-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
The InChIKey is YSVLUUVUNVMSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO/c19-17-4-2-1-3-13(17)11-18(21)20-15-7-8-16(20)10-14(9-15)12-5-6-12/h1-4,15-16H,5-11H2.
What are the key properties of 2-(2-chlorophenyl)-1-(3-cyclopropylidene-8-azabicyclo[3.2.1]octan-8-yl)ethanone?
2-(2-chlorophenyl)-1-(3-cyclopropylidene-8-azabicyclo[3.2.1]octan-8-yl)ethanone has a molecular weight of 301.82 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(3-cyclopropylidene-8-azabicyclo[3.2.1]octan-8-yl)ethanone is sourced from PubChem (CID 126855369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).