(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile

C10H15N3O — CID 18391459

IUPAC(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile
SMILESN#C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1
InChIInChI=1S/C10H15N3O/c11-7-8-3-2-6-13(8)10(14)9-4-1-5-12-9/h8-9,12H,1-6H2/t8-,9-/m0/s1
InChIKeySBKBWYVWRSDAJC-IUCAKERBSA-N
MW193.25 g/mol
LogP0.25
Rot. Bonds1

About (2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile

(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile (PubChem CID 18391459) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is (2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile
PubChem CID18391459
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile
SMILESN#C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1
InChIInChI=1S/C10H15N3O/c11-7-8-3-2-6-13(8)10(14)9-4-1-5-12-9/h8-9,12H,1-6H2/t8-,9-/m0/s1
InChIKeySBKBWYVWRSDAJC-IUCAKERBSA-N
XLogP0.25
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile?
The IUPAC name of (2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile (CID 18391459) is (2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile.
What is the SMILES notation for (2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile?
The canonical SMILES for (2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile is N#C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1.
What is the InChIKey of (2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile?
The InChIKey is SBKBWYVWRSDAJC-IUCAKERBSA-N. The full InChI is InChI=1S/C10H15N3O/c11-7-8-3-2-6-13(8)10(14)9-4-1-5-12-9/h8-9,12H,1-6H2/t8-,9-/m0/s1.
What are the key properties of (2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile?
(2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile has a molecular weight of 193.25 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 (2S)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carbonitrile is sourced from PubChem (CID 18391459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).