(E)-3-(2-ethyl-4-pyridinyl)prop-2-enenitrile

C10H10N2 — CID 22629691

IUPAC(E)-3-(2-ethyl-4-pyridinyl)prop-2-enenitrile
SMILESCCc1cc(/C=C/C#N)ccn1
InChIInChI=1S/C10H10N2/c1-2-10-8-9(4-3-6-11)5-7-12-10/h3-5,7-8H,2H2,1H3/b4-3+
InChIKeyLZQDTGWXSSYCPR-ONEGZZNKSA-N
MW158.20 g/mol
LogP2.18
Rot. Bonds2

About (E)-3-(2-ethyl-4-pyridinyl)prop-2-enenitrile

(E)-3-(2-ethyl-4-pyridinyl)prop-2-enenitrile (PubChem CID 22629691) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is (E)-3-(2-ethyl-4-pyridinyl)prop-2-enenitrile.

Molecular Properties

Compound Name(E)-3-(2-ethyl-4-pyridinyl)prop-2-enenitrile
PubChem CID22629691
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name(E)-3-(2-ethyl-4-pyridinyl)prop-2-enenitrile
SMILESCCc1cc(/C=C/C#N)ccn1
InChIInChI=1S/C10H10N2/c1-2-10-8-9(4-3-6-11)5-7-12-10/h3-5,7-8H,2H2,1H3/b4-3+
InChIKeyLZQDTGWXSSYCPR-ONEGZZNKSA-N
XLogP2.18
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 52.18
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 (E)-3-(2-ethyl-4-pyridinyl)prop-2-enenitrile?
The IUPAC name of (E)-3-(2-ethyl-4-pyridinyl)prop-2-enenitrile (CID 22629691) is (E)-3-(2-ethyl-4-pyridinyl)prop-2-enenitrile.
What is the SMILES notation for (E)-3-(2-ethyl-4-pyridinyl)prop-2-enenitrile?
The canonical SMILES for (E)-3-(2-ethyl-4-pyridinyl)prop-2-enenitrile is CCc1cc(/C=C/C#N)ccn1.
What is the InChIKey of (E)-3-(2-ethyl-4-pyridinyl)prop-2-enenitrile?
The InChIKey is LZQDTGWXSSYCPR-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H10N2/c1-2-10-8-9(4-3-6-11)5-7-12-10/h3-5,7-8H,2H2,1H3/b4-3+.
What are the key properties of (E)-3-(2-ethyl-4-pyridinyl)prop-2-enenitrile?
(E)-3-(2-ethyl-4-pyridinyl)prop-2-enenitrile has a molecular weight of 158.20 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-ethyl-4-pyridinyl)prop-2-enenitrile is sourced from PubChem (CID 22629691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).