(Z)-2-(ethoxymethyl)-3-(furan-2-yl)prop-2-enenitrile

C10H11NO2 — CID 177443051

IUPAC(Z)-2-(ethoxymethyl)-3-(furan-2-yl)prop-2-enenitrile
SMILESCCOC/C(C#N)=C\c1ccco1
InChIInChI=1S/C10H11NO2/c1-2-12-8-9(7-11)6-10-4-3-5-13-10/h3-6H,2,8H2,1H3/b9-6-
InChIKeyAMMYTQYIYHMBIA-TWGQIWQCSA-N
MW177.20 g/mol
LogP2.22
Rot. Bonds4

About (Z)-2-(ethoxymethyl)-3-(furan-2-yl)prop-2-enenitrile

(Z)-2-(ethoxymethyl)-3-(furan-2-yl)prop-2-enenitrile (PubChem CID 177443051) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is (Z)-2-(ethoxymethyl)-3-(furan-2-yl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(ethoxymethyl)-3-(furan-2-yl)prop-2-enenitrile
PubChem CID177443051
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name(Z)-2-(ethoxymethyl)-3-(furan-2-yl)prop-2-enenitrile
SMILESCCOC/C(C#N)=C\c1ccco1
InChIInChI=1S/C10H11NO2/c1-2-12-8-9(7-11)6-10-4-3-5-13-10/h3-6H,2,8H2,1H3/b9-6-
InChIKeyAMMYTQYIYHMBIA-TWGQIWQCSA-N
XLogP2.22
TPSA46.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (Z)-2-(ethoxymethyl)-3-(furan-2-yl)prop-2-enenitrile?
The IUPAC name of (Z)-2-(ethoxymethyl)-3-(furan-2-yl)prop-2-enenitrile (CID 177443051) is (Z)-2-(ethoxymethyl)-3-(furan-2-yl)prop-2-enenitrile.
What is the SMILES notation for (Z)-2-(ethoxymethyl)-3-(furan-2-yl)prop-2-enenitrile?
The canonical SMILES for (Z)-2-(ethoxymethyl)-3-(furan-2-yl)prop-2-enenitrile is CCOC/C(C#N)=C\c1ccco1.
What is the InChIKey of (Z)-2-(ethoxymethyl)-3-(furan-2-yl)prop-2-enenitrile?
The InChIKey is AMMYTQYIYHMBIA-TWGQIWQCSA-N. The full InChI is InChI=1S/C10H11NO2/c1-2-12-8-9(7-11)6-10-4-3-5-13-10/h3-6H,2,8H2,1H3/b9-6-.
What are the key properties of (Z)-2-(ethoxymethyl)-3-(furan-2-yl)prop-2-enenitrile?
(Z)-2-(ethoxymethyl)-3-(furan-2-yl)prop-2-enenitrile has a molecular weight of 177.20 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(ethoxymethyl)-3-(furan-2-yl)prop-2-enenitrile is sourced from PubChem (CID 177443051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).