furan;3-oxopropanenitrile

C7H7NO2 — CID 174832907

IUPACfuran;3-oxopropanenitrile
SMILESN#CCC=O.c1ccoc1
InChIInChI=1S/C4H4O.C3H3NO/c1-2-4-5-3-1;4-2-1-3-5/h1-4H;3H,1H2
InChIKeyPLANDSGWIDLRNH-UHFFFAOYSA-N
MW137.14 g/mol
LogP1.38
Rot. Bonds1

About furan;3-oxopropanenitrile

furan;3-oxopropanenitrile (PubChem CID 174832907) has the molecular formula C7H7NO2 and a molecular weight of 137.14 g/mol. Its IUPAC name is furan;3-oxopropanenitrile.

Molecular Properties

Compound Namefuran;3-oxopropanenitrile
PubChem CID174832907
Molecular FormulaC7H7NO2
Molecular Weight137.14 g/mol
Exact Mass137.05
IUPAC Namefuran;3-oxopropanenitrile
SMILESN#CCC=O.c1ccoc1
InChIInChI=1S/C4H4O.C3H3NO/c1-2-4-5-3-1;4-2-1-3-5/h1-4H;3H,1H2
InChIKeyPLANDSGWIDLRNH-UHFFFAOYSA-N
XLogP1.38
TPSA54.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

furan;propanedinitrile
CID 174894432
furan;propanenitrile
CID 158391138
butanenitrile;furan
CID 174806328
carbon dioxide;furan
CID 157257209
furan;palladium
CID 174420623
CID 57468221
CID 57468221
benzene;but-3-enenitrile
CID 174828108
2-cyanopropanoic acid;furan
CID 174604487
5-oxopent-3-enenitrile
CID 57304287
furan;(2S,3R,4R)-2,3,4,5-tetrahydroxypentanal
CID 146448376
but-3-enoic acid;furan
CID 174949831
4-(2,6-diformylphenyl)but-3-enenitrile
CID 170799962

Frequently Asked Questions

What is the IUPAC name of furan;3-oxopropanenitrile?
The IUPAC name of furan;3-oxopropanenitrile (CID 174832907) is furan;3-oxopropanenitrile.
What is the SMILES notation for furan;3-oxopropanenitrile?
The canonical SMILES for furan;3-oxopropanenitrile is N#CCC=O.c1ccoc1.
What is the InChIKey of furan;3-oxopropanenitrile?
The InChIKey is PLANDSGWIDLRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4O.C3H3NO/c1-2-4-5-3-1;4-2-1-3-5/h1-4H;3H,1H2.
What are the key properties of furan;3-oxopropanenitrile?
furan;3-oxopropanenitrile has a molecular weight of 137.14 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan;3-oxopropanenitrile is sourced from PubChem (CID 174832907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).