2-(2-methoxyethyl)-2-prop-2-enylpent-4-enenitrile

C11H17NO — CID 174183391

IUPAC2-(2-methoxyethyl)-2-prop-2-enylpent-4-enenitrile
SMILESC=CCC(C#N)(CC=C)CCOC
InChIInChI=1S/C11H17NO/c1-4-6-11(10-12,7-5-2)8-9-13-3/h4-5H,1-2,6-9H2,3H3
InChIKeyAFKVOHYOZGHGSP-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.69
Rot. Bonds7

About 2-(2-methoxyethyl)-2-prop-2-enylpent-4-enenitrile

2-(2-methoxyethyl)-2-prop-2-enylpent-4-enenitrile (PubChem CID 174183391) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-2-prop-2-enylpent-4-enenitrile.

Molecular Properties

Compound Name2-(2-methoxyethyl)-2-prop-2-enylpent-4-enenitrile
PubChem CID174183391
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-(2-methoxyethyl)-2-prop-2-enylpent-4-enenitrile
SMILESC=CCC(C#N)(CC=C)CCOC
InChIInChI=1S/C11H17NO/c1-4-6-11(10-12,7-5-2)8-9-13-3/h4-5H,1-2,6-9H2,3H3
InChIKeyAFKVOHYOZGHGSP-UHFFFAOYSA-N
XLogP2.69
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-2-prop-2-enylpent-4-enenitrile?
The IUPAC name of 2-(2-methoxyethyl)-2-prop-2-enylpent-4-enenitrile (CID 174183391) is 2-(2-methoxyethyl)-2-prop-2-enylpent-4-enenitrile.
What is the SMILES notation for 2-(2-methoxyethyl)-2-prop-2-enylpent-4-enenitrile?
The canonical SMILES for 2-(2-methoxyethyl)-2-prop-2-enylpent-4-enenitrile is C=CCC(C#N)(CC=C)CCOC.
What is the InChIKey of 2-(2-methoxyethyl)-2-prop-2-enylpent-4-enenitrile?
The InChIKey is AFKVOHYOZGHGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-4-6-11(10-12,7-5-2)8-9-13-3/h4-5H,1-2,6-9H2,3H3.
What are the key properties of 2-(2-methoxyethyl)-2-prop-2-enylpent-4-enenitrile?
2-(2-methoxyethyl)-2-prop-2-enylpent-4-enenitrile has a molecular weight of 179.26 g/mol, XLogP of 2.69, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-2-prop-2-enylpent-4-enenitrile is sourced from PubChem (CID 174183391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).