(1-amino-3-phenylbut-2-enylidene)urea

C11H13N3O — CID 57144193

IUPAC(1-amino-3-phenylbut-2-enylidene)urea
SMILESCC(=CC(N)=NC(N)=O)c1ccccc1
InChIInChI=1S/C11H13N3O/c1-8(7-10(12)14-11(13)15)9-5-3-2-4-6-9/h2-7H,1H3,(H4,12,13,14,15)
InChIKeyUPBKCSSIWCQTFA-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.53
Rot. Bonds2

About (1-amino-3-phenylbut-2-enylidene)urea

(1-amino-3-phenylbut-2-enylidene)urea (PubChem CID 57144193) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is (1-amino-3-phenylbut-2-enylidene)urea.

Molecular Properties

Compound Name(1-amino-3-phenylbut-2-enylidene)urea
PubChem CID57144193
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name(1-amino-3-phenylbut-2-enylidene)urea
SMILESCC(=CC(N)=NC(N)=O)c1ccccc1
InChIInChI=1S/C11H13N3O/c1-8(7-10(12)14-11(13)15)9-5-3-2-4-6-9/h2-7H,1H3,(H4,12,13,14,15)
InChIKeyUPBKCSSIWCQTFA-UHFFFAOYSA-N
XLogP1.53
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-phenylpent-3-en-2-one
CID 594380
ethane;4-phenylpent-3-en-2-one
CID 123324566
3-phenylbut-2-enoate
CID 6995278
methyl (E)-3-phenylbut-2-enoate
CID 5354835
diaminomethylidene-[(Z)-[(E)-1,3-diphenylbut-2-enylidene]amino]azanium chloride
CID 135713874
1-chloro-4-phenylpent-3-en-2-one
CID 88656703
1,3,5-triphenylhexa-2,4-dien-1-one
CID 628086
[(1,1,1-trifluoro-4-phenylpent-3-en-2-ylidene)amino]urea
CID 78146161
1-iodoprop-1-en-2-ylbenzene
CID 54065087
3-ethoxy-5-phenylhexa-2,4-dienoic acid
CID 71373190
(E)-N-methyl-N,3-diphenylbut-2-enamide
CID 11032331
sodium;3-amino-1-phenylbut-2-en-1-one;hydride
CID 173426072

Frequently Asked Questions

What is the IUPAC name of (1-amino-3-phenylbut-2-enylidene)urea?
The IUPAC name of (1-amino-3-phenylbut-2-enylidene)urea (CID 57144193) is (1-amino-3-phenylbut-2-enylidene)urea.
What is the SMILES notation for (1-amino-3-phenylbut-2-enylidene)urea?
The canonical SMILES for (1-amino-3-phenylbut-2-enylidene)urea is CC(=CC(N)=NC(N)=O)c1ccccc1.
What is the InChIKey of (1-amino-3-phenylbut-2-enylidene)urea?
The InChIKey is UPBKCSSIWCQTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-8(7-10(12)14-11(13)15)9-5-3-2-4-6-9/h2-7H,1H3,(H4,12,13,14,15).
What are the key properties of (1-amino-3-phenylbut-2-enylidene)urea?
(1-amino-3-phenylbut-2-enylidene)urea has a molecular weight of 203.24 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-3-phenylbut-2-enylidene)urea is sourced from PubChem (CID 57144193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).