(1S,5R)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-2-one

C11H9Cl2NO — CID 164674723

IUPAC(1S,5R)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-2-one
SMILESO=C1NC[C@@H]2C[C@]12c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H9Cl2NO/c12-8-2-1-6(3-9(8)13)11-4-7(11)5-14-10(11)15/h1-3,7H,4-5H2,(H,14,15)/t7-,11+/m0/s1
InChIKeyVESNYTDSJWGARF-WRWORJQWSA-N
MW242.10 g/mol
LogP2.38
Rot. Bonds1

About (1S,5R)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-2-one

(1S,5R)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-2-one (PubChem CID 164674723) has the molecular formula C11H9Cl2NO and a molecular weight of 242.10 g/mol. Its IUPAC name is (1S,5R)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-2-one.

Molecular Properties

Compound Name(1S,5R)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-2-one
PubChem CID164674723
Molecular FormulaC11H9Cl2NO
Molecular Weight242.10 g/mol
Exact Mass241.01
IUPAC Name(1S,5R)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-2-one
SMILESO=C1NC[C@@H]2C[C@]12c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H9Cl2NO/c12-8-2-1-6(3-9(8)13)11-4-7(11)5-14-10(11)15/h1-3,7H,4-5H2,(H,14,15)/t7-,11+/m0/s1
InChIKeyVESNYTDSJWGARF-WRWORJQWSA-N
XLogP2.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.10
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S,5S)-1-(5-chlorothiophen-2-yl)-3-azabicyclo[3.1.0]hexan-2-one
CID 130951441
2,2-bis(3,4-dichlorophenyl)cyclopropane-1-carboxylic acid
CID 174934692
1-thiophen-2-yl-3-azabicyclo[3.1.0]hexan-2-one
CID 44561212
(1R,6S)-1-(3,4-dichlorophenyl)-3-azabicyclo[4.1.0]heptane
CID 24849583
1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexane;hexane
CID 159699770
1-(3,4-dichlorophenyl)-2-thia-5-azabicyclo[2.2.1]heptan-3-one
CID 169149806
(3aS,5S,6aS)-3a-(3,4-dichlorophenyl)-5-methoxy-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 56953452
1-(3,4-dichlorophenyl)-3-(2-methylbutan-2-yl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 143403313
6-(3,4-dichlorophenyl)-2-methyl-3-azabicyclo[4.1.0]heptan-4-one
CID 70947534
(3aR,6aS)-3a-(3,4-dichlorophenyl)-5,5-difluoro-1,2,3,4,6,6a-hexahydrocyclopenta[c]pyrrole;(E)-but-2-enedioic acid
CID 56952380
3a-(3,4-dichlorophenyl)-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 75181358
4-(3,4-dichlorophenyl)-4-methyl-1,5-dihydropyrimidin-6-one
CID 141143893

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-2-one?
The IUPAC name of (1S,5R)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-2-one (CID 164674723) is (1S,5R)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-2-one.
What is the SMILES notation for (1S,5R)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-2-one?
The canonical SMILES for (1S,5R)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-2-one is O=C1NC[C@@H]2C[C@]12c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (1S,5R)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-2-one?
The InChIKey is VESNYTDSJWGARF-WRWORJQWSA-N. The full InChI is InChI=1S/C11H9Cl2NO/c12-8-2-1-6(3-9(8)13)11-4-7(11)5-14-10(11)15/h1-3,7H,4-5H2,(H,14,15)/t7-,11+/m0/s1.
What are the key properties of (1S,5R)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-2-one?
(1S,5R)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-2-one has a molecular weight of 242.10 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-1-(3,4-dichlorophenyl)-3-azabicyclo[3.1.0]hexan-2-one is sourced from PubChem (CID 164674723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).