prop-2-enenitrile;styrene

C19H19N — CID 69431186

IUPACprop-2-enenitrile;styrene
SMILESC=CC#N.C=Cc1ccccc1.C=Cc1ccccc1
InChIInChI=1S/2C8H8.C3H3N/c2*1-2-8-6-4-3-5-7-8;1-2-3-4/h2*2-7H,1H2;2H,1H2
InChIKeyRSZGCWLVGNIHML-UHFFFAOYSA-N
MW261.37 g/mol
LogP5.36
Rot. Bonds2

About prop-2-enenitrile;styrene

prop-2-enenitrile;styrene (PubChem CID 69431186) has the molecular formula C19H19N and a molecular weight of 261.37 g/mol. Its IUPAC name is prop-2-enenitrile;styrene.

Molecular Properties

Compound Nameprop-2-enenitrile;styrene
PubChem CID69431186
Molecular FormulaC19H19N
Molecular Weight261.37 g/mol
Exact Mass261.15
IUPAC Nameprop-2-enenitrile;styrene
SMILESC=CC#N.C=Cc1ccccc1.C=Cc1ccccc1
InChIInChI=1S/2C8H8.C3H3N/c2*1-2-8-6-4-3-5-7-8;1-2-3-4/h2*2-7H,1H2;2H,1H2
InChIKeyRSZGCWLVGNIHML-UHFFFAOYSA-N
XLogP5.36
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.37
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 173419899
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CID 170339005
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Frequently Asked Questions

What is the IUPAC name of prop-2-enenitrile;styrene?
The IUPAC name of prop-2-enenitrile;styrene (CID 69431186) is prop-2-enenitrile;styrene.
What is the SMILES notation for prop-2-enenitrile;styrene?
The canonical SMILES for prop-2-enenitrile;styrene is C=CC#N.C=Cc1ccccc1.C=Cc1ccccc1.
What is the InChIKey of prop-2-enenitrile;styrene?
The InChIKey is RSZGCWLVGNIHML-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H8.C3H3N/c2*1-2-8-6-4-3-5-7-8;1-2-3-4/h2*2-7H,1H2;2H,1H2.
What are the key properties of prop-2-enenitrile;styrene?
prop-2-enenitrile;styrene has a molecular weight of 261.37 g/mol, XLogP of 5.36, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enenitrile;styrene is sourced from PubChem (CID 69431186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).