(E)-3-(5-methylfuran-2-yl)prop-2-enenitrile

C8H7NO — CID 13249094

IUPAC(E)-3-(5-methylfuran-2-yl)prop-2-enenitrile
SMILESCc1ccc(/C=C/C#N)o1
InChIInChI=1S/C8H7NO/c1-7-4-5-8(10-7)3-2-6-9/h2-5H,1H3/b3-2+
InChIKeyHETPBUIUTCCPMT-NSCUHMNNSA-N
MW133.15 g/mol
LogP2.12
Rot. Bonds1

About (E)-3-(5-methylfuran-2-yl)prop-2-enenitrile

(E)-3-(5-methylfuran-2-yl)prop-2-enenitrile (PubChem CID 13249094) has the molecular formula C8H7NO and a molecular weight of 133.15 g/mol. Its IUPAC name is (E)-3-(5-methylfuran-2-yl)prop-2-enenitrile.

Molecular Properties

Compound Name(E)-3-(5-methylfuran-2-yl)prop-2-enenitrile
PubChem CID13249094
Molecular FormulaC8H7NO
Molecular Weight133.15 g/mol
Exact Mass133.05
IUPAC Name(E)-3-(5-methylfuran-2-yl)prop-2-enenitrile
SMILESCc1ccc(/C=C/C#N)o1
InChIInChI=1S/C8H7NO/c1-7-4-5-8(10-7)3-2-6-9/h2-5H,1H3/b3-2+
InChIKeyHETPBUIUTCCPMT-NSCUHMNNSA-N
XLogP2.12
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-(5-methylfuran-2-yl)prop-2-enenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-methylfuran-2-yl)prop-2-enenitrile?
The IUPAC name of (E)-3-(5-methylfuran-2-yl)prop-2-enenitrile (CID 13249094) is (E)-3-(5-methylfuran-2-yl)prop-2-enenitrile.
What is the SMILES notation for (E)-3-(5-methylfuran-2-yl)prop-2-enenitrile?
The canonical SMILES for (E)-3-(5-methylfuran-2-yl)prop-2-enenitrile is Cc1ccc(/C=C/C#N)o1.
What is the InChIKey of (E)-3-(5-methylfuran-2-yl)prop-2-enenitrile?
The InChIKey is HETPBUIUTCCPMT-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H7NO/c1-7-4-5-8(10-7)3-2-6-9/h2-5H,1H3/b3-2+.
What are the key properties of (E)-3-(5-methylfuran-2-yl)prop-2-enenitrile?
(E)-3-(5-methylfuran-2-yl)prop-2-enenitrile has a molecular weight of 133.15 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-methylfuran-2-yl)prop-2-enenitrile is sourced from PubChem (CID 13249094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).