(1S,3S,5S)-2-[(2S)-pyrrolidine-2-carbonyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile

C11H15N3O — CID 11424277

IUPAC(1S,3S,5S)-2-[(2S)-pyrrolidine-2-carbonyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
SMILESN#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H]1CCCN1
InChIInChI=1S/C11H15N3O/c12-6-8-4-7-5-10(7)14(8)11(15)9-2-1-3-13-9/h7-10,13H,1-5H2/t7-,8+,9+,10+/m1/s1
InChIKeyIIVGMDFYTPCILV-KATARQTJSA-N
MW205.26 g/mol
LogP0.25
Rot. Bonds1

About (1S,3S,5S)-2-[(2S)-pyrrolidine-2-carbonyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile

(1S,3S,5S)-2-[(2S)-pyrrolidine-2-carbonyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile (PubChem CID 11424277) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is (1S,3S,5S)-2-[(2S)-pyrrolidine-2-carbonyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile.

Molecular Properties

Compound Name(1S,3S,5S)-2-[(2S)-pyrrolidine-2-carbonyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
PubChem CID11424277
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name(1S,3S,5S)-2-[(2S)-pyrrolidine-2-carbonyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
SMILESN#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H]1CCCN1
InChIInChI=1S/C11H15N3O/c12-6-8-4-7-5-10(7)14(8)11(15)9-2-1-3-13-9/h7-10,13H,1-5H2/t7-,8+,9+,10+/m1/s1
InChIKeyIIVGMDFYTPCILV-KATARQTJSA-N
XLogP0.25
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,3S,5S)-2-[(2S)-pyrrolidine-2-carbonyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile?
The IUPAC name of (1S,3S,5S)-2-[(2S)-pyrrolidine-2-carbonyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile (CID 11424277) is (1S,3S,5S)-2-[(2S)-pyrrolidine-2-carbonyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile.
What is the SMILES notation for (1S,3S,5S)-2-[(2S)-pyrrolidine-2-carbonyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile?
The canonical SMILES for (1S,3S,5S)-2-[(2S)-pyrrolidine-2-carbonyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile is N#C[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)[C@@H]1CCCN1.
What is the InChIKey of (1S,3S,5S)-2-[(2S)-pyrrolidine-2-carbonyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile?
The InChIKey is IIVGMDFYTPCILV-KATARQTJSA-N. The full InChI is InChI=1S/C11H15N3O/c12-6-8-4-7-5-10(7)14(8)11(15)9-2-1-3-13-9/h7-10,13H,1-5H2/t7-,8+,9+,10+/m1/s1.
What are the key properties of (1S,3S,5S)-2-[(2S)-pyrrolidine-2-carbonyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile?
(1S,3S,5S)-2-[(2S)-pyrrolidine-2-carbonyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile has a molecular weight of 205.26 g/mol, XLogP of 0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3S,5S)-2-[(2S)-pyrrolidine-2-carbonyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile is sourced from PubChem (CID 11424277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).