1-amino-3-[(E)-phenacylideneamino]urea

C9H10N4O2 — CID 163184752

IUPAC1-amino-3-[(E)-phenacylideneamino]urea
SMILESNNC(=O)N/N=C/C(=O)c1ccccc1
InChIInChI=1S/C9H10N4O2/c10-12-9(15)13-11-6-8(14)7-4-2-1-3-5-7/h1-6H,10H2,(H2,12,13,15)/b11-6+
InChIKeyKIJLXYORXOSZAZ-IZZDOVSWSA-N
MW206.21 g/mol
LogP0.03
Rot. Bonds3

About 1-amino-3-[(E)-phenacylideneamino]urea

1-amino-3-[(E)-phenacylideneamino]urea (PubChem CID 163184752) has the molecular formula C9H10N4O2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 1-amino-3-[(E)-phenacylideneamino]urea.

Molecular Properties

Compound Name1-amino-3-[(E)-phenacylideneamino]urea
PubChem CID163184752
Molecular FormulaC9H10N4O2
Molecular Weight206.21 g/mol
Exact Mass206.08
IUPAC Name1-amino-3-[(E)-phenacylideneamino]urea
SMILESNNC(=O)N/N=C/C(=O)c1ccccc1
InChIInChI=1S/C9H10N4O2/c10-12-9(15)13-11-6-8(14)7-4-2-1-3-5-7/h1-6H,10H2,(H2,12,13,15)/b11-6+
InChIKeyKIJLXYORXOSZAZ-IZZDOVSWSA-N
XLogP0.03
TPSA96.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(phenylhydrazinylidene)-1-[4-[2-(phenylhydrazinylidene)acetyl]phenyl]ethanone
CID 2749285
1-[(E)-phenacylideneamino]-3-prop-2-enylthiourea
CID 140501795
azane;2-hydroxyimino-1-phenylethanone
CID 172864672
(E)-4,4,4-trifluoro-3-hydrazinyl-1-phenylbut-2-en-1-one
CID 177436392
formaldehyde;2-hydroxyimino-1-phenylethanone
CID 174600728
[[2-(carbamoylhydrazinylidene)-1-phenylethylidene]amino]urea
CID 6803115
2-[4-(phenacylideneamino)butylimino]-1-phenylethanone
CID 102036935
1-amino-3-[(Z)-(3-hydroxyphenyl)methylideneamino]urea
CID 5380313
benzohydrazide;molybdenum
CID 162076561
N-methylmethanamine;2-oxo-2-phenylacetaldehyde
CID 174528822
methyl 2-amino-4-oxo-4-phenylbut-2-enoate
CID 85280020
ethyl (E)-2-[(E)-(benzoylhydrazinylidene)methyl]-3-hydroxybut-2-enoate
CID 137153411

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[(E)-phenacylideneamino]urea?
The IUPAC name of 1-amino-3-[(E)-phenacylideneamino]urea (CID 163184752) is 1-amino-3-[(E)-phenacylideneamino]urea.
What is the SMILES notation for 1-amino-3-[(E)-phenacylideneamino]urea?
The canonical SMILES for 1-amino-3-[(E)-phenacylideneamino]urea is NNC(=O)N/N=C/C(=O)c1ccccc1.
What is the InChIKey of 1-amino-3-[(E)-phenacylideneamino]urea?
The InChIKey is KIJLXYORXOSZAZ-IZZDOVSWSA-N. The full InChI is InChI=1S/C9H10N4O2/c10-12-9(15)13-11-6-8(14)7-4-2-1-3-5-7/h1-6H,10H2,(H2,12,13,15)/b11-6+.
What are the key properties of 1-amino-3-[(E)-phenacylideneamino]urea?
1-amino-3-[(E)-phenacylideneamino]urea has a molecular weight of 206.21 g/mol, XLogP of 0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[(E)-phenacylideneamino]urea is sourced from PubChem (CID 163184752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).