2-[5-(2-methyl-1,3-dioxol-2-yl)furan-2-yl]acetonitrile

C10H9NO3 — CID 141305773

IUPAC2-[5-(2-methyl-1,3-dioxol-2-yl)furan-2-yl]acetonitrile
SMILESCC1(c2ccc(CC#N)o2)OC=CO1
InChIInChI=1S/C10H9NO3/c1-10(12-6-7-13-10)9-3-2-8(14-9)4-5-11/h2-3,6-7H,4H2,1H3
InChIKeyUKRCCIYEEDFYIH-UHFFFAOYSA-N
MW191.19 g/mol
LogP2.04
Rot. Bonds2

About 2-[5-(2-methyl-1,3-dioxol-2-yl)furan-2-yl]acetonitrile

2-[5-(2-methyl-1,3-dioxol-2-yl)furan-2-yl]acetonitrile (PubChem CID 141305773) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 2-[5-(2-methyl-1,3-dioxol-2-yl)furan-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[5-(2-methyl-1,3-dioxol-2-yl)furan-2-yl]acetonitrile
PubChem CID141305773
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name2-[5-(2-methyl-1,3-dioxol-2-yl)furan-2-yl]acetonitrile
SMILESCC1(c2ccc(CC#N)o2)OC=CO1
InChIInChI=1S/C10H9NO3/c1-10(12-6-7-13-10)9-3-2-8(14-9)4-5-11/h2-3,6-7H,4H2,1H3
InChIKeyUKRCCIYEEDFYIH-UHFFFAOYSA-N
XLogP2.04
TPSA55.39 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-methyl-1,3-dioxol-2-yl)furan-2-yl]acetonitrile?
The IUPAC name of 2-[5-(2-methyl-1,3-dioxol-2-yl)furan-2-yl]acetonitrile (CID 141305773) is 2-[5-(2-methyl-1,3-dioxol-2-yl)furan-2-yl]acetonitrile.
What is the SMILES notation for 2-[5-(2-methyl-1,3-dioxol-2-yl)furan-2-yl]acetonitrile?
The canonical SMILES for 2-[5-(2-methyl-1,3-dioxol-2-yl)furan-2-yl]acetonitrile is CC1(c2ccc(CC#N)o2)OC=CO1.
What is the InChIKey of 2-[5-(2-methyl-1,3-dioxol-2-yl)furan-2-yl]acetonitrile?
The InChIKey is UKRCCIYEEDFYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-10(12-6-7-13-10)9-3-2-8(14-9)4-5-11/h2-3,6-7H,4H2,1H3.
What are the key properties of 2-[5-(2-methyl-1,3-dioxol-2-yl)furan-2-yl]acetonitrile?
2-[5-(2-methyl-1,3-dioxol-2-yl)furan-2-yl]acetonitrile has a molecular weight of 191.19 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-methyl-1,3-dioxol-2-yl)furan-2-yl]acetonitrile is sourced from PubChem (CID 141305773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).