3-(3-ethenyl-2-pyridinyl)prop-2-enenitrile

C10H8N2 — CID 57081275

IUPAC3-(3-ethenyl-2-pyridinyl)prop-2-enenitrile
SMILESC=Cc1cccnc1C=CC#N
InChIInChI=1S/C10H8N2/c1-2-9-5-4-8-12-10(9)6-3-7-11/h2-6,8H,1H2
InChIKeyBTHHJYLTOWYBFZ-UHFFFAOYSA-N
MW156.19 g/mol
LogP2.26
Rot. Bonds2

About 3-(3-ethenyl-2-pyridinyl)prop-2-enenitrile

3-(3-ethenyl-2-pyridinyl)prop-2-enenitrile (PubChem CID 57081275) has the molecular formula C10H8N2 and a molecular weight of 156.19 g/mol. Its IUPAC name is 3-(3-ethenyl-2-pyridinyl)prop-2-enenitrile.

Molecular Properties

Compound Name3-(3-ethenyl-2-pyridinyl)prop-2-enenitrile
PubChem CID57081275
Molecular FormulaC10H8N2
Molecular Weight156.19 g/mol
Exact Mass156.07
IUPAC Name3-(3-ethenyl-2-pyridinyl)prop-2-enenitrile
SMILESC=Cc1cccnc1C=CC#N
InChIInChI=1S/C10H8N2/c1-2-9-5-4-8-12-10(9)6-3-7-11/h2-6,8H,1H2
InChIKeyBTHHJYLTOWYBFZ-UHFFFAOYSA-N
XLogP2.26
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 52.26
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 3-(3-ethenyl-2-pyridinyl)prop-2-enenitrile?
The IUPAC name of 3-(3-ethenyl-2-pyridinyl)prop-2-enenitrile (CID 57081275) is 3-(3-ethenyl-2-pyridinyl)prop-2-enenitrile.
What is the SMILES notation for 3-(3-ethenyl-2-pyridinyl)prop-2-enenitrile?
The canonical SMILES for 3-(3-ethenyl-2-pyridinyl)prop-2-enenitrile is C=Cc1cccnc1C=CC#N.
What is the InChIKey of 3-(3-ethenyl-2-pyridinyl)prop-2-enenitrile?
The InChIKey is BTHHJYLTOWYBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2/c1-2-9-5-4-8-12-10(9)6-3-7-11/h2-6,8H,1H2.
What are the key properties of 3-(3-ethenyl-2-pyridinyl)prop-2-enenitrile?
3-(3-ethenyl-2-pyridinyl)prop-2-enenitrile has a molecular weight of 156.19 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethenyl-2-pyridinyl)prop-2-enenitrile is sourced from PubChem (CID 57081275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).