[(E)-cyclopenta-1,4-dien-1-ylmethylideneamino]urea

C7H9N3O — CID 134103367

IUPAC[(E)-cyclopenta-1,4-dien-1-ylmethylideneamino]urea
SMILESNC(=O)N/N=C/C1=CCC=C1
InChIInChI=1S/C7H9N3O/c8-7(11)10-9-5-6-3-1-2-4-6/h1,3-5H,2H2,(H3,8,10,11)/b9-5+
InChIKeyALXDBKUVHLUPGA-WEVVVXLNSA-N
MW151.17 g/mol
LogP0.53
Rot. Bonds2

About [(E)-cyclopenta-1,4-dien-1-ylmethylideneamino]urea

[(E)-cyclopenta-1,4-dien-1-ylmethylideneamino]urea (PubChem CID 134103367) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is [(E)-cyclopenta-1,4-dien-1-ylmethylideneamino]urea.

Molecular Properties

Compound Name[(E)-cyclopenta-1,4-dien-1-ylmethylideneamino]urea
PubChem CID134103367
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name[(E)-cyclopenta-1,4-dien-1-ylmethylideneamino]urea
SMILESNC(=O)N/N=C/C1=CCC=C1
InChIInChI=1S/C7H9N3O/c8-7(11)10-9-5-6-3-1-2-4-6/h1,3-5H,2H2,(H3,8,10,11)/b9-5+
InChIKeyALXDBKUVHLUPGA-WEVVVXLNSA-N
XLogP0.53
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[[2-[(carbamoylhydrazinylidene)methyl]phenyl]methylideneamino]urea
CID 91157967
[(E)-[5-[(E)-(carbamoylhydrazinylidene)methyl]furan-2-yl]methylideneamino]urea
CID 14174868
[(E)-benzylideneamino]urea
CID 6861419
[(2,5-dihydroxyphenyl)methylideneamino]urea
CID 5052012
[4-[(E)-(carbamoylhydrazinylidene)methyl]phenyl]-trimethylazanium
CID 6864967
[(Z)-(4-chlorophenyl)methylideneamino]urea
CID 6079769
[(Z)-(2-hydroxyphenyl)methylideneamino]urea
CID 135741564
[(Z)-(5-aminofuran-2-yl)methylideneamino]urea
CID 5396872
4-[(carbamoylhydrazinylidene)methyl]benzoic acid
CID 2588651
[(6-hydroxynaphthalen-2-yl)methylideneamino]urea
CID 168531736
[(Z)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]urea
CID 136727835
[(2,3,6-trifluorophenyl)methylideneamino]urea
CID 168531688

Frequently Asked Questions

What is the IUPAC name of [(E)-cyclopenta-1,4-dien-1-ylmethylideneamino]urea?
The IUPAC name of [(E)-cyclopenta-1,4-dien-1-ylmethylideneamino]urea (CID 134103367) is [(E)-cyclopenta-1,4-dien-1-ylmethylideneamino]urea.
What is the SMILES notation for [(E)-cyclopenta-1,4-dien-1-ylmethylideneamino]urea?
The canonical SMILES for [(E)-cyclopenta-1,4-dien-1-ylmethylideneamino]urea is NC(=O)N/N=C/C1=CCC=C1.
What is the InChIKey of [(E)-cyclopenta-1,4-dien-1-ylmethylideneamino]urea?
The InChIKey is ALXDBKUVHLUPGA-WEVVVXLNSA-N. The full InChI is InChI=1S/C7H9N3O/c8-7(11)10-9-5-6-3-1-2-4-6/h1,3-5H,2H2,(H3,8,10,11)/b9-5+.
What are the key properties of [(E)-cyclopenta-1,4-dien-1-ylmethylideneamino]urea?
[(E)-cyclopenta-1,4-dien-1-ylmethylideneamino]urea has a molecular weight of 151.17 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-cyclopenta-1,4-dien-1-ylmethylideneamino]urea is sourced from PubChem (CID 134103367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).