2-nitrosopent-4-enenitrile

C5H6N2O — CID 57168132

IUPAC2-nitrosopent-4-enenitrile
SMILESC=CCC(C#N)N=O
InChIInChI=1S/C5H6N2O/c1-2-3-5(4-6)7-8/h2,5H,1,3H2
InChIKeySRIWDLSOBWYUNH-UHFFFAOYSA-N
MW110.12 g/mol
LogP1.22
Rot. Bonds3

About 2-nitrosopent-4-enenitrile

2-nitrosopent-4-enenitrile (PubChem CID 57168132) has the molecular formula C5H6N2O and a molecular weight of 110.12 g/mol. Its IUPAC name is 2-nitrosopent-4-enenitrile.

Molecular Properties

Compound Name2-nitrosopent-4-enenitrile
PubChem CID57168132
Molecular FormulaC5H6N2O
Molecular Weight110.12 g/mol
Exact Mass110.05
IUPAC Name2-nitrosopent-4-enenitrile
SMILESC=CCC(C#N)N=O
InChIInChI=1S/C5H6N2O/c1-2-3-5(4-6)7-8/h2,5H,1,3H2
InChIKeySRIWDLSOBWYUNH-UHFFFAOYSA-N
XLogP1.22
TPSA53.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.12
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-nitrosopent-4-enenitrile?
The IUPAC name of 2-nitrosopent-4-enenitrile (CID 57168132) is 2-nitrosopent-4-enenitrile.
What is the SMILES notation for 2-nitrosopent-4-enenitrile?
The canonical SMILES for 2-nitrosopent-4-enenitrile is C=CCC(C#N)N=O.
What is the InChIKey of 2-nitrosopent-4-enenitrile?
The InChIKey is SRIWDLSOBWYUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O/c1-2-3-5(4-6)7-8/h2,5H,1,3H2.
What are the key properties of 2-nitrosopent-4-enenitrile?
2-nitrosopent-4-enenitrile has a molecular weight of 110.12 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitrosopent-4-enenitrile is sourced from PubChem (CID 57168132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).