(E)-3-(4-amino-3-hydroxyphenyl)-2-cyanoprop-2-enamide

C10H9N3O2 — CID 142904803

IUPAC(E)-3-(4-amino-3-hydroxyphenyl)-2-cyanoprop-2-enamide
SMILESN#C/C(=C\c1ccc(N)c(O)c1)C(N)=O
InChIInChI=1S/C10H9N3O2/c11-5-7(10(13)15)3-6-1-2-8(12)9(14)4-6/h1-4,14H,12H2,(H2,13,15)/b7-3+
InChIKeyRBRZGGMEPHZWIH-XVNBXDOJSA-N
MW203.20 g/mol
LogP0.37
Rot. Bonds2

About (E)-3-(4-amino-3-hydroxyphenyl)-2-cyanoprop-2-enamide

(E)-3-(4-amino-3-hydroxyphenyl)-2-cyanoprop-2-enamide (PubChem CID 142904803) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is (E)-3-(4-amino-3-hydroxyphenyl)-2-cyanoprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-amino-3-hydroxyphenyl)-2-cyanoprop-2-enamide
PubChem CID142904803
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name(E)-3-(4-amino-3-hydroxyphenyl)-2-cyanoprop-2-enamide
SMILESN#C/C(=C\c1ccc(N)c(O)c1)C(N)=O
InChIInChI=1S/C10H9N3O2/c11-5-7(10(13)15)3-6-1-2-8(12)9(14)4-6/h1-4,14H,12H2,(H2,13,15)/b7-3+
InChIKeyRBRZGGMEPHZWIH-XVNBXDOJSA-N
XLogP0.37
TPSA113.13 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-2-cyano-3-(4-iodophenyl)prop-2-enamide
CID 843298
(E)-2-cyano-3-(4-nitrophenyl)prop-2-enamide
CID 736695
2-cyano-3-(3-methylphenyl)prop-2-enamide
CID 3601300
(E)-3-(3-amino-4,5-dihydroxyphenyl)-2-cyanoprop-2-enoic acid
CID 145215241
(E)-2-cyano-3-[4-(hydroxymethyl)phenyl]prop-2-enamide
CID 57390634
2-(3,4-dihydroxybenzoyl)-3-(3,4-dihydroxyphenyl)prop-2-enenitrile
CID 2057
2-cyano-3-(4-methylsulfanylphenyl)prop-2-enamide
CID 2732895
(E)-2-cyano-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 6281097
(E)-2-cyano-3-(3,4-dihydroxy-5-nitrophenyl)prop-2-enamide
CID 18990391
2-amino-5-[(E)-2-(4-amino-3-hydroxyphenyl)ethenyl]phenol
CID 19933281
2-[(3,4-dihydroxyphenyl)methylidene]-3-[(4-hydroxyphenyl)methylidene]butanedinitrile
CID 163008841
(Z)-2-cyano-N-[2-[[(E)-2-cyano-3-(3,4-dihydroxyphenyl)prop-2-enoyl]amino]ethyl]-3-(3,4-dihydroxyphenyl)prop-2-enamide
CID 177457792

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-amino-3-hydroxyphenyl)-2-cyanoprop-2-enamide?
The IUPAC name of (E)-3-(4-amino-3-hydroxyphenyl)-2-cyanoprop-2-enamide (CID 142904803) is (E)-3-(4-amino-3-hydroxyphenyl)-2-cyanoprop-2-enamide.
What is the SMILES notation for (E)-3-(4-amino-3-hydroxyphenyl)-2-cyanoprop-2-enamide?
The canonical SMILES for (E)-3-(4-amino-3-hydroxyphenyl)-2-cyanoprop-2-enamide is N#C/C(=C\c1ccc(N)c(O)c1)C(N)=O.
What is the InChIKey of (E)-3-(4-amino-3-hydroxyphenyl)-2-cyanoprop-2-enamide?
The InChIKey is RBRZGGMEPHZWIH-XVNBXDOJSA-N. The full InChI is InChI=1S/C10H9N3O2/c11-5-7(10(13)15)3-6-1-2-8(12)9(14)4-6/h1-4,14H,12H2,(H2,13,15)/b7-3+.
What are the key properties of (E)-3-(4-amino-3-hydroxyphenyl)-2-cyanoprop-2-enamide?
(E)-3-(4-amino-3-hydroxyphenyl)-2-cyanoprop-2-enamide has a molecular weight of 203.20 g/mol, XLogP of 0.37, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-amino-3-hydroxyphenyl)-2-cyanoprop-2-enamide is sourced from PubChem (CID 142904803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).