2-[[2-[1-(furan-2-yl)ethylamino]phenyl]hydrazinylidene]propanedinitrile

C15H13N5O — CID 169341274

IUPAC2-[[2-[1-(furan-2-yl)ethylamino]phenyl]hydrazinylidene]propanedinitrile
SMILESCC(Nc1ccccc1NN=C(C#N)C#N)c1ccco1
InChIInChI=1S/C15H13N5O/c1-11(15-7-4-8-21-15)18-13-5-2-3-6-14(13)20-19-12(9-16)10-17/h2-8,11,18,20H,1H3
InChIKeyPHXUNKZVKLKMHG-UHFFFAOYSA-N
MW279.30 g/mol
LogP3.27
Rot. Bonds5

About 2-[[2-[1-(furan-2-yl)ethylamino]phenyl]hydrazinylidene]propanedinitrile

2-[[2-[1-(furan-2-yl)ethylamino]phenyl]hydrazinylidene]propanedinitrile (PubChem CID 169341274) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is 2-[[2-[1-(furan-2-yl)ethylamino]phenyl]hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[2-[1-(furan-2-yl)ethylamino]phenyl]hydrazinylidene]propanedinitrile
PubChem CID169341274
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC Name2-[[2-[1-(furan-2-yl)ethylamino]phenyl]hydrazinylidene]propanedinitrile
SMILESCC(Nc1ccccc1NN=C(C#N)C#N)c1ccco1
InChIInChI=1S/C15H13N5O/c1-11(15-7-4-8-21-15)18-13-5-2-3-6-14(13)20-19-12(9-16)10-17/h2-8,11,18,20H,1H3
InChIKeyPHXUNKZVKLKMHG-UHFFFAOYSA-N
XLogP3.27
TPSA97.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-N-[1-(furan-2-yl)ethyl]aniline
CID 43194896
2-[[2-(2-methylpropyl)phenyl]hydrazinylidene]propanedinitrile
CID 169341724
1-N-[1-(furan-2-yl)ethyl]-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43726592
2-[(2-bromophenyl)hydrazinylidene]propanedinitrile
CID 779795
5-chloro-2-[1-(furan-2-yl)ethylamino]benzonitrile
CID 62494326
2-[2-[1-(furan-2-yl)ethylamino]phenyl]sulfanylacetamide
CID 43722596
2-[(2-ethenylphenyl)hydrazinylidene]propanedinitrile
CID 169338563
N-[[2-[1-(furan-2-yl)ethylamino]phenyl]methyl]-N-methylacetamide
CID 43692114
2-[1-(furan-2-yl)ethylamino]-4-methylbenzenecarbothioamide
CID 55057358
6-[1-(furan-2-yl)ethylamino]pyridazine-3-carbonitrile
CID 133416561
2,3,4-trifluoro-N-[1-(furan-2-yl)ethyl]aniline
CID 43192518
2-chloro-6-[1-(furan-2-yl)ethylamino]benzenecarbothioamide
CID 55079374

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[1-(furan-2-yl)ethylamino]phenyl]hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[[2-[1-(furan-2-yl)ethylamino]phenyl]hydrazinylidene]propanedinitrile (CID 169341274) is 2-[[2-[1-(furan-2-yl)ethylamino]phenyl]hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[[2-[1-(furan-2-yl)ethylamino]phenyl]hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[[2-[1-(furan-2-yl)ethylamino]phenyl]hydrazinylidene]propanedinitrile is CC(Nc1ccccc1NN=C(C#N)C#N)c1ccco1.
What is the InChIKey of 2-[[2-[1-(furan-2-yl)ethylamino]phenyl]hydrazinylidene]propanedinitrile?
The InChIKey is PHXUNKZVKLKMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c1-11(15-7-4-8-21-15)18-13-5-2-3-6-14(13)20-19-12(9-16)10-17/h2-8,11,18,20H,1H3.
What are the key properties of 2-[[2-[1-(furan-2-yl)ethylamino]phenyl]hydrazinylidene]propanedinitrile?
2-[[2-[1-(furan-2-yl)ethylamino]phenyl]hydrazinylidene]propanedinitrile has a molecular weight of 279.30 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[1-(furan-2-yl)ethylamino]phenyl]hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169341274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).