2-[[(Z)-2-(prop-2-enylideneamino)but-2-enylidene]amino]ethanol

C9H14N2O — CID 89370904

IUPAC2-[[(Z)-2-(prop-2-enylideneamino)but-2-enylidene]amino]ethanol
SMILESC=C/C=N/C(=C\C)/C=N/CCO
InChIInChI=1S/C9H14N2O/c1-3-5-11-9(4-2)8-10-6-7-12/h3-5,8,12H,1,6-7H2,2H3/b9-4-,10-8+,11-5+
InChIKeyYSTPPAUDPCGYNY-ONMOUEHBSA-N
MW166.22 g/mol
LogP1.21
Rot. Bonds5

About 2-[[(Z)-2-(prop-2-enylideneamino)but-2-enylidene]amino]ethanol

2-[[(Z)-2-(prop-2-enylideneamino)but-2-enylidene]amino]ethanol (PubChem CID 89370904) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2-[[(Z)-2-(prop-2-enylideneamino)but-2-enylidene]amino]ethanol.

Molecular Properties

Compound Name2-[[(Z)-2-(prop-2-enylideneamino)but-2-enylidene]amino]ethanol
PubChem CID89370904
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2-[[(Z)-2-(prop-2-enylideneamino)but-2-enylidene]amino]ethanol
SMILESC=C/C=N/C(=C\C)/C=N/CCO
InChIInChI=1S/C9H14N2O/c1-3-5-11-9(4-2)8-10-6-7-12/h3-5,8,12H,1,6-7H2,2H3/b9-4-,10-8+,11-5+
InChIKeyYSTPPAUDPCGYNY-ONMOUEHBSA-N
XLogP1.21
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[(Z)-2-(prop-2-enylideneamino)but-2-enylidene]amino]ethanol?
The IUPAC name of 2-[[(Z)-2-(prop-2-enylideneamino)but-2-enylidene]amino]ethanol (CID 89370904) is 2-[[(Z)-2-(prop-2-enylideneamino)but-2-enylidene]amino]ethanol.
What is the SMILES notation for 2-[[(Z)-2-(prop-2-enylideneamino)but-2-enylidene]amino]ethanol?
The canonical SMILES for 2-[[(Z)-2-(prop-2-enylideneamino)but-2-enylidene]amino]ethanol is C=C/C=N/C(=C\C)/C=N/CCO.
What is the InChIKey of 2-[[(Z)-2-(prop-2-enylideneamino)but-2-enylidene]amino]ethanol?
The InChIKey is YSTPPAUDPCGYNY-ONMOUEHBSA-N. The full InChI is InChI=1S/C9H14N2O/c1-3-5-11-9(4-2)8-10-6-7-12/h3-5,8,12H,1,6-7H2,2H3/b9-4-,10-8+,11-5+.
What are the key properties of 2-[[(Z)-2-(prop-2-enylideneamino)but-2-enylidene]amino]ethanol?
2-[[(Z)-2-(prop-2-enylideneamino)but-2-enylidene]amino]ethanol has a molecular weight of 166.22 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-2-(prop-2-enylideneamino)but-2-enylidene]amino]ethanol is sourced from PubChem (CID 89370904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).