2-amino-4-(furan-2-yl)-5,6,7,8-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile

C17H14N4O — CID 4018347

IUPAC2-amino-4-(furan-2-yl)-5,6,7,8-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile
SMILESN#CC1=C(N)C(C#N)(C#N)C(c2ccco2)C2=C1CCCC2
InChIInChI=1S/C17H14N4O/c18-8-13-11-4-1-2-5-12(11)15(14-6-3-7-22-14)17(9-19,10-20)16(13)21/h3,6-7,15H,1-2,4-5,21H2
InChIKeyHAQXRHVWHNQNLP-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.02
Rot. Bonds1

About 2-amino-4-(furan-2-yl)-5,6,7,8-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile

2-amino-4-(furan-2-yl)-5,6,7,8-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile (PubChem CID 4018347) has the molecular formula C17H14N4O and a molecular weight of 290.33 g/mol. Its IUPAC name is 2-amino-4-(furan-2-yl)-5,6,7,8-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile.

Molecular Properties

Compound Name2-amino-4-(furan-2-yl)-5,6,7,8-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile
PubChem CID4018347
Molecular FormulaC17H14N4O
Molecular Weight290.33 g/mol
Exact Mass290.12
IUPAC Name2-amino-4-(furan-2-yl)-5,6,7,8-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile
SMILESN#CC1=C(N)C(C#N)(C#N)C(c2ccco2)C2=C1CCCC2
InChIInChI=1S/C17H14N4O/c18-8-13-11-4-1-2-5-12(11)15(14-6-3-7-22-14)17(9-19,10-20)16(13)21/h3,6-7,15H,1-2,4-5,21H2
InChIKeyHAQXRHVWHNQNLP-UHFFFAOYSA-N
XLogP3.02
TPSA110.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_ene_amine_A(56)', '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-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile?
The IUPAC name of 2-amino-4-(furan-2-yl)-5,6,7,8-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile (CID 4018347) is 2-amino-4-(furan-2-yl)-5,6,7,8-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile.
What is the SMILES notation for 2-amino-4-(furan-2-yl)-5,6,7,8-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile?
The canonical SMILES for 2-amino-4-(furan-2-yl)-5,6,7,8-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile is N#CC1=C(N)C(C#N)(C#N)C(c2ccco2)C2=C1CCCC2.
What is the InChIKey of 2-amino-4-(furan-2-yl)-5,6,7,8-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile?
The InChIKey is HAQXRHVWHNQNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O/c18-8-13-11-4-1-2-5-12(11)15(14-6-3-7-22-14)17(9-19,10-20)16(13)21/h3,6-7,15H,1-2,4-5,21H2.
What are the key properties of 2-amino-4-(furan-2-yl)-5,6,7,8-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile?
2-amino-4-(furan-2-yl)-5,6,7,8-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile has a molecular weight of 290.33 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(furan-2-yl)-5,6,7,8-tetrahydro-4H-naphthalene-1,3,3-tricarbonitrile is sourced from PubChem (CID 4018347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).