[(Z)-(1-phenylpyrrol-2-yl)methylideneamino]urea

C12H12N4O — CID 5425600

IUPAC[(Z)-(1-phenylpyrrol-2-yl)methylideneamino]urea
SMILESNC(=O)N/N=C\c1cccn1-c1ccccc1
InChIInChI=1S/C12H12N4O/c13-12(17)15-14-9-11-7-4-8-16(11)10-5-2-1-3-6-10/h1-9H,(H3,13,15,17)/b14-9-
InChIKeyIFXCAXBNWRMZAT-ZROIWOOFSA-N
MW228.26 g/mol
LogP1.48
Rot. Bonds3

About [(Z)-(1-phenylpyrrol-2-yl)methylideneamino]urea

[(Z)-(1-phenylpyrrol-2-yl)methylideneamino]urea (PubChem CID 5425600) has the molecular formula C12H12N4O and a molecular weight of 228.26 g/mol. Its IUPAC name is [(Z)-(1-phenylpyrrol-2-yl)methylideneamino]urea.

Molecular Properties

Compound Name[(Z)-(1-phenylpyrrol-2-yl)methylideneamino]urea
PubChem CID5425600
Molecular FormulaC12H12N4O
Molecular Weight228.26 g/mol
Exact Mass228.10
IUPAC Name[(Z)-(1-phenylpyrrol-2-yl)methylideneamino]urea
SMILESNC(=O)N/N=C\c1cccn1-c1ccccc1
InChIInChI=1S/C12H12N4O/c13-12(17)15-14-9-11-7-4-8-16(11)10-5-2-1-3-6-10/h1-9H,(H3,13,15,17)/b14-9-
InChIKeyIFXCAXBNWRMZAT-ZROIWOOFSA-N
XLogP1.48
TPSA72.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pyrrol(64)', '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

[(1-phenylpyrrol-2-yl)methylideneamino]thiourea
CID 957187
4-fluoro-N-[(1-phenylpyrrol-2-yl)methylideneamino]benzamide
CID 3722683
[[1-(3-chloro-4-methylphenyl)pyrrol-2-yl]methylideneamino]urea
CID 958256
1-(2-methylphenyl)-3-[(E)-(1-phenylpyrrol-2-yl)methylideneamino]urea
CID 124548870
[(E)-(5-methyl-1-phenylpyrrol-2-yl)methylideneamino]urea
CID 50855920
1-ethyl-3-[(1-phenylpyrrol-2-yl)methylideneamino]thiourea
CID 4264037
N-[[1-(4-bromophenyl)pyrrol-2-yl]methylideneamino]-2-phenylacetamide
CID 4556577
2-naphthalen-1-yloxy-N-[(1-phenylpyrrol-2-yl)methylideneamino]acetamide
CID 3763934
3-methoxy-N-[(1-phenylpyrrol-2-yl)methylideneamino]naphthalene-2-carboxamide
CID 4685961
[(E)-benzylideneamino]urea
CID 6861419
1-[(Z)-[1-[4-(dimethylamino)phenyl]pyrrol-2-yl]methylideneamino]-3-phenylurea
CID 6280000
N-[(E)-[1-[4-(dimethylamino)phenyl]pyrrol-2-yl]methylideneamino]acetamide
CID 7256184

Frequently Asked Questions

What is the IUPAC name of [(Z)-(1-phenylpyrrol-2-yl)methylideneamino]urea?
The IUPAC name of [(Z)-(1-phenylpyrrol-2-yl)methylideneamino]urea (CID 5425600) is [(Z)-(1-phenylpyrrol-2-yl)methylideneamino]urea.
What is the SMILES notation for [(Z)-(1-phenylpyrrol-2-yl)methylideneamino]urea?
The canonical SMILES for [(Z)-(1-phenylpyrrol-2-yl)methylideneamino]urea is NC(=O)N/N=C\c1cccn1-c1ccccc1.
What is the InChIKey of [(Z)-(1-phenylpyrrol-2-yl)methylideneamino]urea?
The InChIKey is IFXCAXBNWRMZAT-ZROIWOOFSA-N. The full InChI is InChI=1S/C12H12N4O/c13-12(17)15-14-9-11-7-4-8-16(11)10-5-2-1-3-6-10/h1-9H,(H3,13,15,17)/b14-9-.
What are the key properties of [(Z)-(1-phenylpyrrol-2-yl)methylideneamino]urea?
[(Z)-(1-phenylpyrrol-2-yl)methylideneamino]urea has a molecular weight of 228.26 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(1-phenylpyrrol-2-yl)methylideneamino]urea is sourced from PubChem (CID 5425600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).