3-(furan-3-yl)-2-naphthalen-2-ylprop-2-enenitrile

C17H11NO — CID 3339582

IUPAC3-(furan-3-yl)-2-naphthalen-2-ylprop-2-enenitrile
SMILESN#CC(=Cc1ccoc1)c1ccc2ccccc2c1
InChIInChI=1S/C17H11NO/c18-11-17(9-13-7-8-19-12-13)16-6-5-14-3-1-2-4-15(14)10-16/h1-10,12H
InChIKeyAXLDQHNIHYTSHH-UHFFFAOYSA-N
MW245.28 g/mol
LogP4.50
Rot. Bonds2

About 3-(furan-3-yl)-2-naphthalen-2-ylprop-2-enenitrile

3-(furan-3-yl)-2-naphthalen-2-ylprop-2-enenitrile (PubChem CID 3339582) has the molecular formula C17H11NO and a molecular weight of 245.28 g/mol. Its IUPAC name is 3-(furan-3-yl)-2-naphthalen-2-ylprop-2-enenitrile.

Molecular Properties

Compound Name3-(furan-3-yl)-2-naphthalen-2-ylprop-2-enenitrile
PubChem CID3339582
Molecular FormulaC17H11NO
Molecular Weight245.28 g/mol
Exact Mass245.08
IUPAC Name3-(furan-3-yl)-2-naphthalen-2-ylprop-2-enenitrile
SMILESN#CC(=Cc1ccoc1)c1ccc2ccccc2c1
InChIInChI=1S/C17H11NO/c18-11-17(9-13-7-8-19-12-13)16-6-5-14-3-1-2-4-15(14)10-16/h1-10,12H
InChIKeyAXLDQHNIHYTSHH-UHFFFAOYSA-N
XLogP4.50
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-yl)-2-naphthalen-2-ylprop-2-enenitrile?
The IUPAC name of 3-(furan-3-yl)-2-naphthalen-2-ylprop-2-enenitrile (CID 3339582) is 3-(furan-3-yl)-2-naphthalen-2-ylprop-2-enenitrile.
What is the SMILES notation for 3-(furan-3-yl)-2-naphthalen-2-ylprop-2-enenitrile?
The canonical SMILES for 3-(furan-3-yl)-2-naphthalen-2-ylprop-2-enenitrile is N#CC(=Cc1ccoc1)c1ccc2ccccc2c1.
What is the InChIKey of 3-(furan-3-yl)-2-naphthalen-2-ylprop-2-enenitrile?
The InChIKey is AXLDQHNIHYTSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO/c18-11-17(9-13-7-8-19-12-13)16-6-5-14-3-1-2-4-15(14)10-16/h1-10,12H.
What are the key properties of 3-(furan-3-yl)-2-naphthalen-2-ylprop-2-enenitrile?
3-(furan-3-yl)-2-naphthalen-2-ylprop-2-enenitrile has a molecular weight of 245.28 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-yl)-2-naphthalen-2-ylprop-2-enenitrile is sourced from PubChem (CID 3339582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).