[(Z)-[(E)-4-(4-hydroxyphenyl)but-3-en-2-ylidene]amino]urea

C11H13N3O2 — CID 136716120

IUPAC[(Z)-[(E)-4-(4-hydroxyphenyl)but-3-en-2-ylidene]amino]urea
SMILESCC(/C=C/c1ccc(O)cc1)=N/NC(N)=O
InChIInChI=1S/C11H13N3O2/c1-8(13-14-11(12)16)2-3-9-4-6-10(15)7-5-9/h2-7,15H,1H3,(H3,12,14,16)/b3-2+,13-8-
InChIKeyIKDJOJMSRRXVBV-CQKMHEBXSA-N
MW219.24 g/mol
LogP1.45
Rot. Bonds3

About [(Z)-[(E)-4-(4-hydroxyphenyl)but-3-en-2-ylidene]amino]urea

[(Z)-[(E)-4-(4-hydroxyphenyl)but-3-en-2-ylidene]amino]urea (PubChem CID 136716120) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is [(Z)-[(E)-4-(4-hydroxyphenyl)but-3-en-2-ylidene]amino]urea.

Molecular Properties

Compound Name[(Z)-[(E)-4-(4-hydroxyphenyl)but-3-en-2-ylidene]amino]urea
PubChem CID136716120
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name[(Z)-[(E)-4-(4-hydroxyphenyl)but-3-en-2-ylidene]amino]urea
SMILESCC(/C=C/c1ccc(O)cc1)=N/NC(N)=O
InChIInChI=1S/C11H13N3O2/c1-8(13-14-11(12)16)2-3-9-4-6-10(15)7-5-9/h2-7,15H,1H3,(H3,12,14,16)/b3-2+,13-8-
InChIKeyIKDJOJMSRRXVBV-CQKMHEBXSA-N
XLogP1.45
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(Z)-[(E)-4-(4-hydroxyphenyl)but-3-en-2-ylidene]amino]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-hydroxyphenyl)but-3-en-2-one
CID 159706417
N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 724511
methyl N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]carbamate
CID 7072066
N,N'-bis[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]octanediamide
CID 6321551
2,2,3,3,4,4,4-heptafluoro-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]butanamide
CID 7124439
2,2-diphenyl-N-[[(E)-4-phenylbut-3-en-2-ylidene]amino]acetamide
CID 129431826
1,3-bis[(E)-4-phenylbut-3-en-2-ylideneamino]thiourea
CID 5466074
(E)-3-(4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)(1,2,3-13C3)prop-2-enoic acid
CID 175665468
hydroxymethyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
CID 134285367
(1-aminoethylideneamino)urea
CID 85436939
tris(3-(4-hydroxyphenyl)prop-2-enoic acid);lanthanum
CID 153328544
3-(4-hydroxyphenyl)prop-2-enethioamide
CID 136649174

Frequently Asked Questions

What is the IUPAC name of [(Z)-[(E)-4-(4-hydroxyphenyl)but-3-en-2-ylidene]amino]urea?
The IUPAC name of [(Z)-[(E)-4-(4-hydroxyphenyl)but-3-en-2-ylidene]amino]urea (CID 136716120) is [(Z)-[(E)-4-(4-hydroxyphenyl)but-3-en-2-ylidene]amino]urea.
What is the SMILES notation for [(Z)-[(E)-4-(4-hydroxyphenyl)but-3-en-2-ylidene]amino]urea?
The canonical SMILES for [(Z)-[(E)-4-(4-hydroxyphenyl)but-3-en-2-ylidene]amino]urea is CC(/C=C/c1ccc(O)cc1)=N/NC(N)=O.
What is the InChIKey of [(Z)-[(E)-4-(4-hydroxyphenyl)but-3-en-2-ylidene]amino]urea?
The InChIKey is IKDJOJMSRRXVBV-CQKMHEBXSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-8(13-14-11(12)16)2-3-9-4-6-10(15)7-5-9/h2-7,15H,1H3,(H3,12,14,16)/b3-2+,13-8-.
What are the key properties of [(Z)-[(E)-4-(4-hydroxyphenyl)but-3-en-2-ylidene]amino]urea?
[(Z)-[(E)-4-(4-hydroxyphenyl)but-3-en-2-ylidene]amino]urea has a molecular weight of 219.24 g/mol, XLogP of 1.45, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[(E)-4-(4-hydroxyphenyl)but-3-en-2-ylidene]amino]urea is sourced from PubChem (CID 136716120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).