2-amino-4-(furan-2-yl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile

C16H13N3O — CID 869694

IUPAC2-amino-4-(furan-2-yl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile
SMILESN#Cc1c(N)c(C#N)c(-c2ccco2)c2c1CCCC2
InChIInChI=1S/C16H13N3O/c17-8-12-10-4-1-2-5-11(10)15(13(9-18)16(12)19)14-6-3-7-20-14/h3,6-7H,1-2,4-5,19H2
InChIKeyFJKTZLFQIRTPKU-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.15
Rot. Bonds1

About 2-amino-4-(furan-2-yl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile

2-amino-4-(furan-2-yl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile (PubChem CID 869694) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-amino-4-(furan-2-yl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(furan-2-yl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile
PubChem CID869694
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name2-amino-4-(furan-2-yl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile
SMILESN#Cc1c(N)c(C#N)c(-c2ccco2)c2c1CCCC2
InChIInChI=1S/C16H13N3O/c17-8-12-10-4-1-2-5-11(10)15(13(9-18)16(12)19)14-6-3-7-20-14/h3,6-7H,1-2,4-5,19H2
InChIKeyFJKTZLFQIRTPKU-UHFFFAOYSA-N
XLogP3.15
TPSA86.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(furan-2-yl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile?
The IUPAC name of 2-amino-4-(furan-2-yl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile (CID 869694) is 2-amino-4-(furan-2-yl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(furan-2-yl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile?
The canonical SMILES for 2-amino-4-(furan-2-yl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile is N#Cc1c(N)c(C#N)c(-c2ccco2)c2c1CCCC2.
What is the InChIKey of 2-amino-4-(furan-2-yl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile?
The InChIKey is FJKTZLFQIRTPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c17-8-12-10-4-1-2-5-11(10)15(13(9-18)16(12)19)14-6-3-7-20-14/h3,6-7H,1-2,4-5,19H2.
What are the key properties of 2-amino-4-(furan-2-yl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile?
2-amino-4-(furan-2-yl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile has a molecular weight of 263.30 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(furan-2-yl)-5,6,7,8-tetrahydronaphthalene-1,3-dicarbonitrile is sourced from PubChem (CID 869694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).