5-(4-ethenyl-2-oxopyrrolidin-1-yl)pentanenitrile

C11H16N2O — CID 168685202

IUPAC5-(4-ethenyl-2-oxopyrrolidin-1-yl)pentanenitrile
SMILESC=CC1CC(=O)N(CCCCC#N)C1
InChIInChI=1S/C11H16N2O/c1-2-10-8-11(14)13(9-10)7-5-3-4-6-12/h2,10H,1,3-5,7-9H2
InChIKeyDHSWMDOVHCBSMH-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.71
Rot. Bonds5

About 5-(4-ethenyl-2-oxopyrrolidin-1-yl)pentanenitrile

5-(4-ethenyl-2-oxopyrrolidin-1-yl)pentanenitrile (PubChem CID 168685202) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 5-(4-ethenyl-2-oxopyrrolidin-1-yl)pentanenitrile.

Molecular Properties

Compound Name5-(4-ethenyl-2-oxopyrrolidin-1-yl)pentanenitrile
PubChem CID168685202
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name5-(4-ethenyl-2-oxopyrrolidin-1-yl)pentanenitrile
SMILESC=CC1CC(=O)N(CCCCC#N)C1
InChIInChI=1S/C11H16N2O/c1-2-10-8-11(14)13(9-10)7-5-3-4-6-12/h2,10H,1,3-5,7-9H2
InChIKeyDHSWMDOVHCBSMH-UHFFFAOYSA-N
XLogP1.71
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethenyl-2-oxopyrrolidin-1-yl)pentanenitrile?
The IUPAC name of 5-(4-ethenyl-2-oxopyrrolidin-1-yl)pentanenitrile (CID 168685202) is 5-(4-ethenyl-2-oxopyrrolidin-1-yl)pentanenitrile.
What is the SMILES notation for 5-(4-ethenyl-2-oxopyrrolidin-1-yl)pentanenitrile?
The canonical SMILES for 5-(4-ethenyl-2-oxopyrrolidin-1-yl)pentanenitrile is C=CC1CC(=O)N(CCCCC#N)C1.
What is the InChIKey of 5-(4-ethenyl-2-oxopyrrolidin-1-yl)pentanenitrile?
The InChIKey is DHSWMDOVHCBSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-2-10-8-11(14)13(9-10)7-5-3-4-6-12/h2,10H,1,3-5,7-9H2.
What are the key properties of 5-(4-ethenyl-2-oxopyrrolidin-1-yl)pentanenitrile?
5-(4-ethenyl-2-oxopyrrolidin-1-yl)pentanenitrile has a molecular weight of 192.26 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethenyl-2-oxopyrrolidin-1-yl)pentanenitrile is sourced from PubChem (CID 168685202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).