N-ethenyl-N-[ethenyl(1H-pyrrol-2-yl)amino]oxy-1H-pyrrol-2-amine

C12H14N4O — CID 19695145

IUPACN-ethenyl-N-[ethenyl(1H-pyrrol-2-yl)amino]oxy-1H-pyrrol-2-amine
SMILESC=CN(ON(C=C)c1ccc[nH]1)c1ccc[nH]1
InChIInChI=1S/C12H14N4O/c1-3-15(11-7-5-9-13-11)17-16(4-2)12-8-6-10-14-12/h3-10,13-14H,1-2H2
InChIKeyNSAYLQOZSCUODA-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.79
Rot. Bonds6

About N-ethenyl-N-[ethenyl(1H-pyrrol-2-yl)amino]oxy-1H-pyrrol-2-amine

N-ethenyl-N-[ethenyl(1H-pyrrol-2-yl)amino]oxy-1H-pyrrol-2-amine (PubChem CID 19695145) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is N-ethenyl-N-[ethenyl(1H-pyrrol-2-yl)amino]oxy-1H-pyrrol-2-amine.

Molecular Properties

Compound NameN-ethenyl-N-[ethenyl(1H-pyrrol-2-yl)amino]oxy-1H-pyrrol-2-amine
PubChem CID19695145
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC NameN-ethenyl-N-[ethenyl(1H-pyrrol-2-yl)amino]oxy-1H-pyrrol-2-amine
SMILESC=CN(ON(C=C)c1ccc[nH]1)c1ccc[nH]1
InChIInChI=1S/C12H14N4O/c1-3-15(11-7-5-9-13-11)17-16(4-2)12-8-6-10-14-12/h3-10,13-14H,1-2H2
InChIKeyNSAYLQOZSCUODA-UHFFFAOYSA-N
XLogP2.79
TPSA47.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Nitropyrrole
CID 96706
2-Aminopyrrole
CID 5324781
2-Dimethylaminopyrrole
CID 15826366
Amino(hydroxy)-1,2-azole
CID 17779280
N-Methyl-1H-pyrrol-2-amine
CID 17805735
Aziridinylazole
CID 20447273
Pyrrolylpyrrole
CID 21863152
Piperazinopyrrole
CID 22181888
2-(Piperidin-1-yl)-pyrrole
CID 22742155
Azolyl isocyanate
CID 23062270
Hydroxyiminopyrrole
CID 23371254
Tetrazol-1-ylazole
CID 53768322

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-N-[ethenyl(1H-pyrrol-2-yl)amino]oxy-1H-pyrrol-2-amine?
The IUPAC name of N-ethenyl-N-[ethenyl(1H-pyrrol-2-yl)amino]oxy-1H-pyrrol-2-amine (CID 19695145) is N-ethenyl-N-[ethenyl(1H-pyrrol-2-yl)amino]oxy-1H-pyrrol-2-amine.
What is the SMILES notation for N-ethenyl-N-[ethenyl(1H-pyrrol-2-yl)amino]oxy-1H-pyrrol-2-amine?
The canonical SMILES for N-ethenyl-N-[ethenyl(1H-pyrrol-2-yl)amino]oxy-1H-pyrrol-2-amine is C=CN(ON(C=C)c1ccc[nH]1)c1ccc[nH]1.
What is the InChIKey of N-ethenyl-N-[ethenyl(1H-pyrrol-2-yl)amino]oxy-1H-pyrrol-2-amine?
The InChIKey is NSAYLQOZSCUODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-3-15(11-7-5-9-13-11)17-16(4-2)12-8-6-10-14-12/h3-10,13-14H,1-2H2.
What are the key properties of N-ethenyl-N-[ethenyl(1H-pyrrol-2-yl)amino]oxy-1H-pyrrol-2-amine?
N-ethenyl-N-[ethenyl(1H-pyrrol-2-yl)amino]oxy-1H-pyrrol-2-amine has a molecular weight of 230.27 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N-[ethenyl(1H-pyrrol-2-yl)amino]oxy-1H-pyrrol-2-amine is sourced from PubChem (CID 19695145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).