3-[6-(dimethylamino)-3-azabicyclo[3.1.0]hexan-3-yl]cyclopent-2-en-1-one

C12H18N2O — CID 130920843

IUPAC3-[6-(dimethylamino)-3-azabicyclo[3.1.0]hexan-3-yl]cyclopent-2-en-1-one
SMILESCN(C)C1C2CN(C3=CC(=O)CC3)CC21
InChIInChI=1S/C12H18N2O/c1-13(2)12-10-6-14(7-11(10)12)8-3-4-9(15)5-8/h5,10-12H,3-4,6-7H2,1-2H3
InChIKeyGEICEEJMEJXDFP-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.73
Rot. Bonds2

About 3-[6-(dimethylamino)-3-azabicyclo[3.1.0]hexan-3-yl]cyclopent-2-en-1-one

3-[6-(dimethylamino)-3-azabicyclo[3.1.0]hexan-3-yl]cyclopent-2-en-1-one (PubChem CID 130920843) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-[6-(dimethylamino)-3-azabicyclo[3.1.0]hexan-3-yl]cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-[6-(dimethylamino)-3-azabicyclo[3.1.0]hexan-3-yl]cyclopent-2-en-1-one
PubChem CID130920843
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-[6-(dimethylamino)-3-azabicyclo[3.1.0]hexan-3-yl]cyclopent-2-en-1-one
SMILESCN(C)C1C2CN(C3=CC(=O)CC3)CC21
InChIInChI=1S/C12H18N2O/c1-13(2)12-10-6-14(7-11(10)12)8-3-4-9(15)5-8/h5,10-12H,3-4,6-7H2,1-2H3
InChIKeyGEICEEJMEJXDFP-UHFFFAOYSA-N
XLogP0.73
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(dimethylamino)-3-azabicyclo[3.1.0]hexan-3-yl]cyclopent-2-en-1-one?
The IUPAC name of 3-[6-(dimethylamino)-3-azabicyclo[3.1.0]hexan-3-yl]cyclopent-2-en-1-one (CID 130920843) is 3-[6-(dimethylamino)-3-azabicyclo[3.1.0]hexan-3-yl]cyclopent-2-en-1-one.
What is the SMILES notation for 3-[6-(dimethylamino)-3-azabicyclo[3.1.0]hexan-3-yl]cyclopent-2-en-1-one?
The canonical SMILES for 3-[6-(dimethylamino)-3-azabicyclo[3.1.0]hexan-3-yl]cyclopent-2-en-1-one is CN(C)C1C2CN(C3=CC(=O)CC3)CC21.
What is the InChIKey of 3-[6-(dimethylamino)-3-azabicyclo[3.1.0]hexan-3-yl]cyclopent-2-en-1-one?
The InChIKey is GEICEEJMEJXDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-13(2)12-10-6-14(7-11(10)12)8-3-4-9(15)5-8/h5,10-12H,3-4,6-7H2,1-2H3.
What are the key properties of 3-[6-(dimethylamino)-3-azabicyclo[3.1.0]hexan-3-yl]cyclopent-2-en-1-one?
3-[6-(dimethylamino)-3-azabicyclo[3.1.0]hexan-3-yl]cyclopent-2-en-1-one has a molecular weight of 206.29 g/mol, XLogP of 0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(dimethylamino)-3-azabicyclo[3.1.0]hexan-3-yl]cyclopent-2-en-1-one is sourced from PubChem (CID 130920843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).