(E)-3-[[(E)-2-cyano-1-(prop-2-enylamino)ethenyl]-prop-2-enylamino]-3-(prop-2-enylamino)prop-2-enenitrile

C15H19N5 — CID 134923687

IUPAC(E)-3-[[(E)-2-cyano-1-(prop-2-enylamino)ethenyl]-prop-2-enylamino]-3-(prop-2-enylamino)prop-2-enenitrile
SMILESC=CCN/C(=C\C#N)N(CC=C)/C(=C/C#N)NCC=C
InChIInChI=1S/C15H19N5/c1-4-11-18-14(7-9-16)20(13-6-3)15(8-10-17)19-12-5-2/h4-8,18-19H,1-3,11-13H2/b14-7+,15-8+
InChIKeyGQYHCGLGBNUFOP-IROCBMIISA-N
MW269.35 g/mol
LogP1.76
Rot. Bonds10

About (E)-3-[[(E)-2-cyano-1-(prop-2-enylamino)ethenyl]-prop-2-enylamino]-3-(prop-2-enylamino)prop-2-enenitrile

(E)-3-[[(E)-2-cyano-1-(prop-2-enylamino)ethenyl]-prop-2-enylamino]-3-(prop-2-enylamino)prop-2-enenitrile (PubChem CID 134923687) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is (E)-3-[[(E)-2-cyano-1-(prop-2-enylamino)ethenyl]-prop-2-enylamino]-3-(prop-2-enylamino)prop-2-enenitrile.

Molecular Properties

Compound Name(E)-3-[[(E)-2-cyano-1-(prop-2-enylamino)ethenyl]-prop-2-enylamino]-3-(prop-2-enylamino)prop-2-enenitrile
PubChem CID134923687
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name(E)-3-[[(E)-2-cyano-1-(prop-2-enylamino)ethenyl]-prop-2-enylamino]-3-(prop-2-enylamino)prop-2-enenitrile
SMILESC=CCN/C(=C\C#N)N(CC=C)/C(=C/C#N)NCC=C
InChIInChI=1S/C15H19N5/c1-4-11-18-14(7-9-16)20(13-6-3)15(8-10-17)19-12-5-2/h4-8,18-19H,1-3,11-13H2/b14-7+,15-8+
InChIKeyGQYHCGLGBNUFOP-IROCBMIISA-N
XLogP1.76
TPSA74.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[[(E)-2-cyano-1-(prop-2-enylamino)ethenyl]-prop-2-enylamino]-3-(prop-2-enylamino)prop-2-enenitrile?
The IUPAC name of (E)-3-[[(E)-2-cyano-1-(prop-2-enylamino)ethenyl]-prop-2-enylamino]-3-(prop-2-enylamino)prop-2-enenitrile (CID 134923687) is (E)-3-[[(E)-2-cyano-1-(prop-2-enylamino)ethenyl]-prop-2-enylamino]-3-(prop-2-enylamino)prop-2-enenitrile.
What is the SMILES notation for (E)-3-[[(E)-2-cyano-1-(prop-2-enylamino)ethenyl]-prop-2-enylamino]-3-(prop-2-enylamino)prop-2-enenitrile?
The canonical SMILES for (E)-3-[[(E)-2-cyano-1-(prop-2-enylamino)ethenyl]-prop-2-enylamino]-3-(prop-2-enylamino)prop-2-enenitrile is C=CCN/C(=C\C#N)N(CC=C)/C(=C/C#N)NCC=C.
What is the InChIKey of (E)-3-[[(E)-2-cyano-1-(prop-2-enylamino)ethenyl]-prop-2-enylamino]-3-(prop-2-enylamino)prop-2-enenitrile?
The InChIKey is GQYHCGLGBNUFOP-IROCBMIISA-N. The full InChI is InChI=1S/C15H19N5/c1-4-11-18-14(7-9-16)20(13-6-3)15(8-10-17)19-12-5-2/h4-8,18-19H,1-3,11-13H2/b14-7+,15-8+.
What are the key properties of (E)-3-[[(E)-2-cyano-1-(prop-2-enylamino)ethenyl]-prop-2-enylamino]-3-(prop-2-enylamino)prop-2-enenitrile?
(E)-3-[[(E)-2-cyano-1-(prop-2-enylamino)ethenyl]-prop-2-enylamino]-3-(prop-2-enylamino)prop-2-enenitrile has a molecular weight of 269.35 g/mol, XLogP of 1.76, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[[(E)-2-cyano-1-(prop-2-enylamino)ethenyl]-prop-2-enylamino]-3-(prop-2-enylamino)prop-2-enenitrile is sourced from PubChem (CID 134923687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).