(E)-2-(3,4-diaminophenyl)ethenol

C8H10N2O — CID 171484326

IUPAC(E)-2-(3,4-diaminophenyl)ethenol
SMILESNc1ccc(/C=C/O)cc1N
InChIInChI=1S/C8H10N2O/c9-7-2-1-6(3-4-11)5-8(7)10/h1-5,11H,9-10H2/b4-3+
InChIKeyXYIMOJCGJGHQSV-ONEGZZNKSA-N
MW150.18 g/mol
LogP1.38
Rot. Bonds1

About (E)-2-(3,4-diaminophenyl)ethenol

(E)-2-(3,4-diaminophenyl)ethenol (PubChem CID 171484326) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is (E)-2-(3,4-diaminophenyl)ethenol.

Molecular Properties

Compound Name(E)-2-(3,4-diaminophenyl)ethenol
PubChem CID171484326
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name(E)-2-(3,4-diaminophenyl)ethenol
SMILESNc1ccc(/C=C/O)cc1N
InChIInChI=1S/C8H10N2O/c9-7-2-1-6(3-4-11)5-8(7)10/h1-5,11H,9-10H2/b4-3+
InChIKeyXYIMOJCGJGHQSV-ONEGZZNKSA-N
XLogP1.38
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1,3-bis(3,4-diaminophenyl)prop-2-en-1-one
CID 130286820
2-amino-5-[(E)-2-(4-amino-3-hydroxyphenyl)ethenyl]phenol
CID 19933281
4-ethenylbenzene-1,2-diamine
CID 18400401
2-naphthalen-2-ylethenol
CID 67195423
3-(3,4-diaminophenyl)-2-methylprop-2-enoic acid
CID 69361395
ethyl 3-(3,4-diaminophenyl)prop-2-enoate
CID 169480115
4-(3-azidoprop-1-enyl)benzene-1,2-diamine
CID 169461436
2-amino-5-(3-hydroxyprop-1-enyl)phenol
CID 169453102
(E)-3-(4-amino-3-hydroxyphenyl)prop-2-enal
CID 11286642
(E)-4-(4-amino-3-methylphenyl)but-3-en-2-one
CID 155030375
3-(4-amino-3-fluorophenyl)prop-2-en-1-ol
CID 169453039
1-[2-amino-5-(3-sulfanylprop-1-enyl)phenyl]ethanone
CID 169455613

Frequently Asked Questions

What is the IUPAC name of (E)-2-(3,4-diaminophenyl)ethenol?
The IUPAC name of (E)-2-(3,4-diaminophenyl)ethenol (CID 171484326) is (E)-2-(3,4-diaminophenyl)ethenol.
What is the SMILES notation for (E)-2-(3,4-diaminophenyl)ethenol?
The canonical SMILES for (E)-2-(3,4-diaminophenyl)ethenol is Nc1ccc(/C=C/O)cc1N.
What is the InChIKey of (E)-2-(3,4-diaminophenyl)ethenol?
The InChIKey is XYIMOJCGJGHQSV-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H10N2O/c9-7-2-1-6(3-4-11)5-8(7)10/h1-5,11H,9-10H2/b4-3+.
What are the key properties of (E)-2-(3,4-diaminophenyl)ethenol?
(E)-2-(3,4-diaminophenyl)ethenol has a molecular weight of 150.18 g/mol, XLogP of 1.38, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(3,4-diaminophenyl)ethenol is sourced from PubChem (CID 171484326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).