[(Z)-1-(2-methylcyclopenten-1-yl)ethylideneamino]urea

C9H15N3O — CID 5367480

IUPAC[(Z)-1-(2-methylcyclopenten-1-yl)ethylideneamino]urea
SMILESCC1=C(/C(C)=N\NC(N)=O)CCC1
InChIInChI=1S/C9H15N3O/c1-6-4-3-5-8(6)7(2)11-12-9(10)13/h3-5H2,1-2H3,(H3,10,12,13)/b11-7-
InChIKeyYSTHRJPOPITYAB-XFFZJAGNSA-N
MW181.24 g/mol
LogP1.53
Rot. Bonds2

About [(Z)-1-(2-methylcyclopenten-1-yl)ethylideneamino]urea

[(Z)-1-(2-methylcyclopenten-1-yl)ethylideneamino]urea (PubChem CID 5367480) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is [(Z)-1-(2-methylcyclopenten-1-yl)ethylideneamino]urea.

Molecular Properties

Compound Name[(Z)-1-(2-methylcyclopenten-1-yl)ethylideneamino]urea
PubChem CID5367480
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name[(Z)-1-(2-methylcyclopenten-1-yl)ethylideneamino]urea
SMILESCC1=C(/C(C)=N\NC(N)=O)CCC1
InChIInChI=1S/C9H15N3O/c1-6-4-3-5-8(6)7(2)11-12-9(10)13/h3-5H2,1-2H3,(H3,10,12,13)/b11-7-
InChIKeyYSTHRJPOPITYAB-XFFZJAGNSA-N
XLogP1.53
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.53
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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Frequently Asked Questions

What is the IUPAC name of [(Z)-1-(2-methylcyclopenten-1-yl)ethylideneamino]urea?
The IUPAC name of [(Z)-1-(2-methylcyclopenten-1-yl)ethylideneamino]urea (CID 5367480) is [(Z)-1-(2-methylcyclopenten-1-yl)ethylideneamino]urea.
What is the SMILES notation for [(Z)-1-(2-methylcyclopenten-1-yl)ethylideneamino]urea?
The canonical SMILES for [(Z)-1-(2-methylcyclopenten-1-yl)ethylideneamino]urea is CC1=C(/C(C)=N\NC(N)=O)CCC1.
What is the InChIKey of [(Z)-1-(2-methylcyclopenten-1-yl)ethylideneamino]urea?
The InChIKey is YSTHRJPOPITYAB-XFFZJAGNSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6-4-3-5-8(6)7(2)11-12-9(10)13/h3-5H2,1-2H3,(H3,10,12,13)/b11-7-.
What are the key properties of [(Z)-1-(2-methylcyclopenten-1-yl)ethylideneamino]urea?
[(Z)-1-(2-methylcyclopenten-1-yl)ethylideneamino]urea has a molecular weight of 181.24 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-(2-methylcyclopenten-1-yl)ethylideneamino]urea is sourced from PubChem (CID 5367480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).