3-amino-1-(3-bicyclo[3.1.0]hexanyl)pyrrolidin-2-one

C10H16N2O — CID 130987434

IUPAC3-amino-1-(3-bicyclo[3.1.0]hexanyl)pyrrolidin-2-one
SMILESNC1CCN(C2CC3CC3C2)C1=O
InChIInChI=1S/C10H16N2O/c11-9-1-2-12(10(9)13)8-4-6-3-7(6)5-8/h6-9H,1-5,11H2
InChIKeyZDNVMJSCTBHDRT-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.34
Rot. Bonds1

About 3-amino-1-(3-bicyclo[3.1.0]hexanyl)pyrrolidin-2-one

3-amino-1-(3-bicyclo[3.1.0]hexanyl)pyrrolidin-2-one (PubChem CID 130987434) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-amino-1-(3-bicyclo[3.1.0]hexanyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-amino-1-(3-bicyclo[3.1.0]hexanyl)pyrrolidin-2-one
PubChem CID130987434
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3-amino-1-(3-bicyclo[3.1.0]hexanyl)pyrrolidin-2-one
SMILESNC1CCN(C2CC3CC3C2)C1=O
InChIInChI=1S/C10H16N2O/c11-9-1-2-12(10(9)13)8-4-6-3-7(6)5-8/h6-9H,1-5,11H2
InChIKeyZDNVMJSCTBHDRT-UHFFFAOYSA-N
XLogP0.34
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-bicyclo[3.1.0]hexanyl)pyrrolidin-2-one?
The IUPAC name of 3-amino-1-(3-bicyclo[3.1.0]hexanyl)pyrrolidin-2-one (CID 130987434) is 3-amino-1-(3-bicyclo[3.1.0]hexanyl)pyrrolidin-2-one.
What is the SMILES notation for 3-amino-1-(3-bicyclo[3.1.0]hexanyl)pyrrolidin-2-one?
The canonical SMILES for 3-amino-1-(3-bicyclo[3.1.0]hexanyl)pyrrolidin-2-one is NC1CCN(C2CC3CC3C2)C1=O.
What is the InChIKey of 3-amino-1-(3-bicyclo[3.1.0]hexanyl)pyrrolidin-2-one?
The InChIKey is ZDNVMJSCTBHDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c11-9-1-2-12(10(9)13)8-4-6-3-7(6)5-8/h6-9H,1-5,11H2.
What are the key properties of 3-amino-1-(3-bicyclo[3.1.0]hexanyl)pyrrolidin-2-one?
3-amino-1-(3-bicyclo[3.1.0]hexanyl)pyrrolidin-2-one has a molecular weight of 180.25 g/mol, XLogP of 0.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-bicyclo[3.1.0]hexanyl)pyrrolidin-2-one is sourced from PubChem (CID 130987434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).