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

C10H16N2O — CID 58253222

IUPAC(2S)-1-[(2S)-2-methylbutanoyl]pyrrolidine-2-carbonitrile
SMILESCC[C@H](C)C(=O)N1CCC[C@H]1C#N
InChIInChI=1S/C10H16N2O/c1-3-8(2)10(13)12-6-4-5-9(12)7-11/h8-9H,3-6H2,1-2H3/t8-,9-/m0/s1
InChIKeyGMQKUYANLLUYIA-IUCAKERBSA-N
MW180.25 g/mol
LogP1.55
Rot. Bonds2

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

(2S)-1-[(2S)-2-methylbutanoyl]pyrrolidine-2-carbonitrile (PubChem CID 58253222) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-methylbutanoyl]pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-methylbutanoyl]pyrrolidine-2-carbonitrile
PubChem CID58253222
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name(2S)-1-[(2S)-2-methylbutanoyl]pyrrolidine-2-carbonitrile
SMILESCC[C@H](C)C(=O)N1CCC[C@H]1C#N
InChIInChI=1S/C10H16N2O/c1-3-8(2)10(13)12-6-4-5-9(12)7-11/h8-9H,3-6H2,1-2H3/t8-,9-/m0/s1
InChIKeyGMQKUYANLLUYIA-IUCAKERBSA-N
XLogP1.55
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-methylbutanoyl]pyrrolidine-2-carbonitrile?
The IUPAC name of (2S)-1-[(2S)-2-methylbutanoyl]pyrrolidine-2-carbonitrile (CID 58253222) is (2S)-1-[(2S)-2-methylbutanoyl]pyrrolidine-2-carbonitrile.
What is the SMILES notation for (2S)-1-[(2S)-2-methylbutanoyl]pyrrolidine-2-carbonitrile?
The canonical SMILES for (2S)-1-[(2S)-2-methylbutanoyl]pyrrolidine-2-carbonitrile is CC[C@H](C)C(=O)N1CCC[C@H]1C#N.
What is the InChIKey of (2S)-1-[(2S)-2-methylbutanoyl]pyrrolidine-2-carbonitrile?
The InChIKey is GMQKUYANLLUYIA-IUCAKERBSA-N. The full InChI is InChI=1S/C10H16N2O/c1-3-8(2)10(13)12-6-4-5-9(12)7-11/h8-9H,3-6H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-methylbutanoyl]pyrrolidine-2-carbonitrile?
(2S)-1-[(2S)-2-methylbutanoyl]pyrrolidine-2-carbonitrile has a molecular weight of 180.25 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-methylbutanoyl]pyrrolidine-2-carbonitrile is sourced from PubChem (CID 58253222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).