molecular hydrogen;propanenitrile;prop-2-enenitrile

C6H10N2 — CID 158596334

IUPACmolecular hydrogen;propanenitrile;prop-2-enenitrile
SMILESC=CC#N.CCC#N.[H][H]
InChIInChI=1S/C3H5N.C3H3N.H2/c2*1-2-3-4;/h2H2,1H3;2H,1H2;1H
InChIKeyHVBPEUSIKYZBTK-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.86
Rot. Bonds

About molecular hydrogen;propanenitrile;prop-2-enenitrile

molecular hydrogen;propanenitrile;prop-2-enenitrile (PubChem CID 158596334) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is molecular hydrogen;propanenitrile;prop-2-enenitrile.

Molecular Properties

Compound Namemolecular hydrogen;propanenitrile;prop-2-enenitrile
PubChem CID158596334
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Namemolecular hydrogen;propanenitrile;prop-2-enenitrile
SMILESC=CC#N.CCC#N.[H][H]
InChIInChI=1S/C3H5N.C3H3N.H2/c2*1-2-3-4;/h2H2,1H3;2H,1H2;1H
InChIKeyHVBPEUSIKYZBTK-UHFFFAOYSA-N
XLogP1.86
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;propanenitrile;prop-2-enenitrile?
The IUPAC name of molecular hydrogen;propanenitrile;prop-2-enenitrile (CID 158596334) is molecular hydrogen;propanenitrile;prop-2-enenitrile.
What is the SMILES notation for molecular hydrogen;propanenitrile;prop-2-enenitrile?
The canonical SMILES for molecular hydrogen;propanenitrile;prop-2-enenitrile is C=CC#N.CCC#N.[H][H].
What is the InChIKey of molecular hydrogen;propanenitrile;prop-2-enenitrile?
The InChIKey is HVBPEUSIKYZBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N.C3H3N.H2/c2*1-2-3-4;/h2H2,1H3;2H,1H2;1H.
What are the key properties of molecular hydrogen;propanenitrile;prop-2-enenitrile?
molecular hydrogen;propanenitrile;prop-2-enenitrile has a molecular weight of 110.16 g/mol, XLogP of 1.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;propanenitrile;prop-2-enenitrile is sourced from PubChem (CID 158596334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).