8-azabicyclo[3.2.1]oct-2-en-8-yl-(2-chlorophenyl)methanone

C14H14ClNO — CID 90627212

IUPAC8-azabicyclo[3.2.1]oct-2-en-8-yl-(2-chlorophenyl)methanone
SMILESO=C(c1ccccc1Cl)N1C2C=CCC1CC2
InChIInChI=1S/C14H14ClNO/c15-13-7-2-1-6-12(13)14(17)16-10-4-3-5-11(16)9-8-10/h1-4,6-7,10-11H,5,8-9H2
InChIKeyHUSGGGUSCWFBHO-UHFFFAOYSA-N
MW247.72 g/mol
LogP3.27
Rot. Bonds1

About 8-azabicyclo[3.2.1]oct-2-en-8-yl-(2-chlorophenyl)methanone

8-azabicyclo[3.2.1]oct-2-en-8-yl-(2-chlorophenyl)methanone (PubChem CID 90627212) has the molecular formula C14H14ClNO and a molecular weight of 247.72 g/mol. Its IUPAC name is 8-azabicyclo[3.2.1]oct-2-en-8-yl-(2-chlorophenyl)methanone.

Molecular Properties

Compound Name8-azabicyclo[3.2.1]oct-2-en-8-yl-(2-chlorophenyl)methanone
PubChem CID90627212
Molecular FormulaC14H14ClNO
Molecular Weight247.72 g/mol
Exact Mass247.08
IUPAC Name8-azabicyclo[3.2.1]oct-2-en-8-yl-(2-chlorophenyl)methanone
SMILESO=C(c1ccccc1Cl)N1C2C=CCC1CC2
InChIInChI=1S/C14H14ClNO/c15-13-7-2-1-6-12(13)14(17)16-10-4-3-5-11(16)9-8-10/h1-4,6-7,10-11H,5,8-9H2
InChIKeyHUSGGGUSCWFBHO-UHFFFAOYSA-N
XLogP3.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.72
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

8-azabicyclo[3.2.1]oct-2-en-8-yl-(2-methylphenyl)methanone
CID 90627100
1-[(1R,5R)-8-azabicyclo[3.2.1]oct-2-en-8-yl]-2-(2-chlorophenyl)ethanone
CID 99903708
[(1R,5R)-8-azabicyclo[3.2.1]oct-2-en-8-yl]-(2-methylquinolin-8-yl)methanone
CID 99883768
8-azabicyclo[3.2.1]oct-2-en-8-yl(thiophen-3-yl)methanone
CID 72720082
3-(8-azabicyclo[3.2.1]oct-2-ene-8-carbonyl)benzonitrile
CID 90627106
[(1R,5R)-8-azabicyclo[3.2.1]oct-2-en-8-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 99883619
(2-chlorophenyl)-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
CID 121178160
6-(8-azabicyclo[3.2.1]oct-2-ene-8-carbonyl)-2-methylpyridazin-3-one
CID 90627206
8-azabicyclo[3.2.1]oct-2-en-8-yl-(4-butoxyphenyl)methanone
CID 90627142
1-(8-azabicyclo[3.2.1]oct-2-en-8-yl)-2-methylpropan-1-one
CID 90627255
N-[2-(trifluoromethyl)phenyl]-8-azabicyclo[3.2.1]oct-2-ene-8-carboxamide
CID 90627334
(2-chlorophenyl)-(3-pyridin-4-yloxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 121186471

Frequently Asked Questions

What is the IUPAC name of 8-azabicyclo[3.2.1]oct-2-en-8-yl-(2-chlorophenyl)methanone?
The IUPAC name of 8-azabicyclo[3.2.1]oct-2-en-8-yl-(2-chlorophenyl)methanone (CID 90627212) is 8-azabicyclo[3.2.1]oct-2-en-8-yl-(2-chlorophenyl)methanone.
What is the SMILES notation for 8-azabicyclo[3.2.1]oct-2-en-8-yl-(2-chlorophenyl)methanone?
The canonical SMILES for 8-azabicyclo[3.2.1]oct-2-en-8-yl-(2-chlorophenyl)methanone is O=C(c1ccccc1Cl)N1C2C=CCC1CC2.
What is the InChIKey of 8-azabicyclo[3.2.1]oct-2-en-8-yl-(2-chlorophenyl)methanone?
The InChIKey is HUSGGGUSCWFBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO/c15-13-7-2-1-6-12(13)14(17)16-10-4-3-5-11(16)9-8-10/h1-4,6-7,10-11H,5,8-9H2.
What are the key properties of 8-azabicyclo[3.2.1]oct-2-en-8-yl-(2-chlorophenyl)methanone?
8-azabicyclo[3.2.1]oct-2-en-8-yl-(2-chlorophenyl)methanone has a molecular weight of 247.72 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azabicyclo[3.2.1]oct-2-en-8-yl-(2-chlorophenyl)methanone is sourced from PubChem (CID 90627212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).