3-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)propanenitrile

C10H10N2O — CID 59179416

IUPAC3-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)propanenitrile
SMILESN#CCCc1nccc2c1CCO2
InChIInChI=1S/C10H10N2O/c11-5-1-2-9-8-4-7-13-10(8)3-6-12-9/h3,6H,1-2,4,7H2
InChIKeyFSGQGHCMSACQMS-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.47
Rot. Bonds2

About 3-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)propanenitrile

3-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)propanenitrile (PubChem CID 59179416) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 3-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)propanenitrile.

Molecular Properties

Compound Name3-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)propanenitrile
PubChem CID59179416
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name3-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)propanenitrile
SMILESN#CCCc1nccc2c1CCO2
InChIInChI=1S/C10H10N2O/c11-5-1-2-9-8-4-7-13-10(8)3-6-12-9/h3,6H,1-2,4,7H2
InChIKeyFSGQGHCMSACQMS-UHFFFAOYSA-N
XLogP1.47
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)propanenitrile?
The IUPAC name of 3-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)propanenitrile (CID 59179416) is 3-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)propanenitrile.
What is the SMILES notation for 3-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)propanenitrile?
The canonical SMILES for 3-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)propanenitrile is N#CCCc1nccc2c1CCO2.
What is the InChIKey of 3-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)propanenitrile?
The InChIKey is FSGQGHCMSACQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c11-5-1-2-9-8-4-7-13-10(8)3-6-12-9/h3,6H,1-2,4,7H2.
What are the key properties of 3-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)propanenitrile?
3-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)propanenitrile has a molecular weight of 174.20 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)propanenitrile is sourced from PubChem (CID 59179416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).