3-(furan-2-ylmethoxy)-2-methylpropanenitrile

C9H11NO2 — CID 43367411

IUPAC3-(furan-2-ylmethoxy)-2-methylpropanenitrile
SMILESCC(C#N)COCc1ccco1
InChIInChI=1S/C9H11NO2/c1-8(5-10)6-11-7-9-3-2-4-12-9/h2-4,8H,6-7H2,1H3
InChIKeyBFWCZRQMJYFDOM-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.96
Rot. Bonds4

About 3-(furan-2-ylmethoxy)-2-methylpropanenitrile

3-(furan-2-ylmethoxy)-2-methylpropanenitrile (PubChem CID 43367411) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 3-(furan-2-ylmethoxy)-2-methylpropanenitrile.

Molecular Properties

Compound Name3-(furan-2-ylmethoxy)-2-methylpropanenitrile
PubChem CID43367411
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name3-(furan-2-ylmethoxy)-2-methylpropanenitrile
SMILESCC(C#N)COCc1ccco1
InChIInChI=1S/C9H11NO2/c1-8(5-10)6-11-7-9-3-2-4-12-9/h2-4,8H,6-7H2,1H3
InChIKeyBFWCZRQMJYFDOM-UHFFFAOYSA-N
XLogP1.96
TPSA46.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethoxy)-2-methylpropanenitrile?
The IUPAC name of 3-(furan-2-ylmethoxy)-2-methylpropanenitrile (CID 43367411) is 3-(furan-2-ylmethoxy)-2-methylpropanenitrile.
What is the SMILES notation for 3-(furan-2-ylmethoxy)-2-methylpropanenitrile?
The canonical SMILES for 3-(furan-2-ylmethoxy)-2-methylpropanenitrile is CC(C#N)COCc1ccco1.
What is the InChIKey of 3-(furan-2-ylmethoxy)-2-methylpropanenitrile?
The InChIKey is BFWCZRQMJYFDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-8(5-10)6-11-7-9-3-2-4-12-9/h2-4,8H,6-7H2,1H3.
What are the key properties of 3-(furan-2-ylmethoxy)-2-methylpropanenitrile?
3-(furan-2-ylmethoxy)-2-methylpropanenitrile has a molecular weight of 165.19 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethoxy)-2-methylpropanenitrile is sourced from PubChem (CID 43367411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).