5-(2-oxopiperidin-1-yl)pentanenitrile

C10H16N2O — CID 11412726

IUPAC5-(2-oxopiperidin-1-yl)pentanenitrile
SMILESN#CCCCCN1CCCCC1=O
InChIInChI=1S/C10H16N2O/c11-7-3-1-4-8-12-9-5-2-6-10(12)13/h1-6,8-9H2
InChIKeyVNLDIJLVUHUOTN-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.69
Rot. Bonds4

About 5-(2-oxopiperidin-1-yl)pentanenitrile

5-(2-oxopiperidin-1-yl)pentanenitrile (PubChem CID 11412726) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 5-(2-oxopiperidin-1-yl)pentanenitrile.

Molecular Properties

Compound Name5-(2-oxopiperidin-1-yl)pentanenitrile
PubChem CID11412726
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name5-(2-oxopiperidin-1-yl)pentanenitrile
SMILESN#CCCCCN1CCCCC1=O
InChIInChI=1S/C10H16N2O/c11-7-3-1-4-8-12-9-5-2-6-10(12)13/h1-6,8-9H2
InChIKeyVNLDIJLVUHUOTN-UHFFFAOYSA-N
XLogP1.69
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2-oxo-1,4-diazepan-1-yl)pentanenitrile
CID 65362229
1-(4-hydroxybutyl)azepan-2-one
CID 43509760
2,2-dimethyl-5-(2-oxopiperidin-1-yl)pentanenitrile
CID 65257372
4-(2-oxopiperidin-1-yl)butanoic acid
CID 12842029
1-(6-bromohexyl)azepan-2-one
CID 71348361
1-(3-chloropropyl)azepan-2-one
CID 14811847
4-(2-oxoazepan-1-yl)butanamide
CID 90945049
1-[4-[4-(2-oxoazepan-1-yl)butoxy]butyl]azepan-2-one;1-[3-[3-(2-oxoazepan-1-yl)propoxy]propyl]azepan-2-one;1-[4-[4-(2-oxopiperidin-1-yl)butoxy]butyl]piperidin-2-one
CID 159014559
1-[3-[4-(2-oxopiperidin-1-yl)butoxy]propyl]azepan-2-one
CID 67613855
1-[3-[3-(2-oxopiperidin-1-yl)propoxy]propyl]azepan-2-one
CID 67617562
1-[4-[(2-oxopiperidin-1-yl)methoxy]butyl]piperidin-2-one
CID 57384624
1-undec-10-enylpiperidin-2-one
CID 23295884

Frequently Asked Questions

What is the IUPAC name of 5-(2-oxopiperidin-1-yl)pentanenitrile?
The IUPAC name of 5-(2-oxopiperidin-1-yl)pentanenitrile (CID 11412726) is 5-(2-oxopiperidin-1-yl)pentanenitrile.
What is the SMILES notation for 5-(2-oxopiperidin-1-yl)pentanenitrile?
The canonical SMILES for 5-(2-oxopiperidin-1-yl)pentanenitrile is N#CCCCCN1CCCCC1=O.
What is the InChIKey of 5-(2-oxopiperidin-1-yl)pentanenitrile?
The InChIKey is VNLDIJLVUHUOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c11-7-3-1-4-8-12-9-5-2-6-10(12)13/h1-6,8-9H2.
What are the key properties of 5-(2-oxopiperidin-1-yl)pentanenitrile?
5-(2-oxopiperidin-1-yl)pentanenitrile has a molecular weight of 180.25 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-oxopiperidin-1-yl)pentanenitrile is sourced from PubChem (CID 11412726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).