2-(4-oxopiperidin-1-yl)pentanenitrile

C10H16N2O — CID 54763888

IUPAC2-(4-oxopiperidin-1-yl)pentanenitrile
SMILESCCCC(C#N)N1CCC(=O)CC1
InChIInChI=1S/C10H16N2O/c1-2-3-9(8-11)12-6-4-10(13)5-7-12/h9H,2-7H2,1H3
InChIKeyUKVOTCSEMAIXKF-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.34
Rot. Bonds3

About 2-(4-oxopiperidin-1-yl)pentanenitrile

2-(4-oxopiperidin-1-yl)pentanenitrile (PubChem CID 54763888) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-(4-oxopiperidin-1-yl)pentanenitrile.

Molecular Properties

Compound Name2-(4-oxopiperidin-1-yl)pentanenitrile
PubChem CID54763888
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-(4-oxopiperidin-1-yl)pentanenitrile
SMILESCCCC(C#N)N1CCC(=O)CC1
InChIInChI=1S/C10H16N2O/c1-2-3-9(8-11)12-6-4-10(13)5-7-12/h9H,2-7H2,1H3
InChIKeyUKVOTCSEMAIXKF-UHFFFAOYSA-N
XLogP1.34
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxopiperidin-1-yl)pentanenitrile?
The IUPAC name of 2-(4-oxopiperidin-1-yl)pentanenitrile (CID 54763888) is 2-(4-oxopiperidin-1-yl)pentanenitrile.
What is the SMILES notation for 2-(4-oxopiperidin-1-yl)pentanenitrile?
The canonical SMILES for 2-(4-oxopiperidin-1-yl)pentanenitrile is CCCC(C#N)N1CCC(=O)CC1.
What is the InChIKey of 2-(4-oxopiperidin-1-yl)pentanenitrile?
The InChIKey is UKVOTCSEMAIXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-2-3-9(8-11)12-6-4-10(13)5-7-12/h9H,2-7H2,1H3.
What are the key properties of 2-(4-oxopiperidin-1-yl)pentanenitrile?
2-(4-oxopiperidin-1-yl)pentanenitrile has a molecular weight of 180.25 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxopiperidin-1-yl)pentanenitrile is sourced from PubChem (CID 54763888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).