3-(2-bicyclo[3.1.0]hexanylamino)-1-methylpyrrolidin-2-one

C11H18N2O — CID 130500214

IUPAC3-(2-bicyclo[3.1.0]hexanylamino)-1-methylpyrrolidin-2-one
SMILESCN1CCC(NC2CCC3CC32)C1=O
InChIInChI=1S/C11H18N2O/c1-13-5-4-10(11(13)14)12-9-3-2-7-6-8(7)9/h7-10,12H,2-6H2,1H3
InChIKeyRQNSUXISXAMGNM-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.61
Rot. Bonds2

About 3-(2-bicyclo[3.1.0]hexanylamino)-1-methylpyrrolidin-2-one

3-(2-bicyclo[3.1.0]hexanylamino)-1-methylpyrrolidin-2-one (PubChem CID 130500214) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-(2-bicyclo[3.1.0]hexanylamino)-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-(2-bicyclo[3.1.0]hexanylamino)-1-methylpyrrolidin-2-one
PubChem CID130500214
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3-(2-bicyclo[3.1.0]hexanylamino)-1-methylpyrrolidin-2-one
SMILESCN1CCC(NC2CCC3CC32)C1=O
InChIInChI=1S/C11H18N2O/c1-13-5-4-10(11(13)14)12-9-3-2-7-6-8(7)9/h7-10,12H,2-6H2,1H3
InChIKeyRQNSUXISXAMGNM-UHFFFAOYSA-N
XLogP0.61
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[3.1.0]hexanylamino)-1-methylpyrrolidin-2-one?
The IUPAC name of 3-(2-bicyclo[3.1.0]hexanylamino)-1-methylpyrrolidin-2-one (CID 130500214) is 3-(2-bicyclo[3.1.0]hexanylamino)-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-(2-bicyclo[3.1.0]hexanylamino)-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-(2-bicyclo[3.1.0]hexanylamino)-1-methylpyrrolidin-2-one is CN1CCC(NC2CCC3CC32)C1=O.
What is the InChIKey of 3-(2-bicyclo[3.1.0]hexanylamino)-1-methylpyrrolidin-2-one?
The InChIKey is RQNSUXISXAMGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-13-5-4-10(11(13)14)12-9-3-2-7-6-8(7)9/h7-10,12H,2-6H2,1H3.
What are the key properties of 3-(2-bicyclo[3.1.0]hexanylamino)-1-methylpyrrolidin-2-one?
3-(2-bicyclo[3.1.0]hexanylamino)-1-methylpyrrolidin-2-one has a molecular weight of 194.28 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[3.1.0]hexanylamino)-1-methylpyrrolidin-2-one is sourced from PubChem (CID 130500214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).