[(E)-[2-(2-butoxyethyl)cyclopentylidene]amino]urea

C12H23N3O2 — CID 58020445

IUPAC[(E)-[2-(2-butoxyethyl)cyclopentylidene]amino]urea
SMILESCCCCOCCC1CCC/C1=N\NC(N)=O
InChIInChI=1S/C12H23N3O2/c1-2-3-8-17-9-7-10-5-4-6-11(10)14-15-12(13)16/h10H,2-9H2,1H3,(H3,13,15,16)/b14-11+
InChIKeyYVYMZBNFARSALR-SDNWHVSQSA-N
MW241.33 g/mol
LogP2.02
Rot. Bonds7

About [(E)-[2-(2-butoxyethyl)cyclopentylidene]amino]urea

[(E)-[2-(2-butoxyethyl)cyclopentylidene]amino]urea (PubChem CID 58020445) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is [(E)-[2-(2-butoxyethyl)cyclopentylidene]amino]urea.

Molecular Properties

Compound Name[(E)-[2-(2-butoxyethyl)cyclopentylidene]amino]urea
PubChem CID58020445
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name[(E)-[2-(2-butoxyethyl)cyclopentylidene]amino]urea
SMILESCCCCOCCC1CCC/C1=N\NC(N)=O
InChIInChI=1S/C12H23N3O2/c1-2-3-8-17-9-7-10-5-4-6-11(10)14-15-12(13)16/h10H,2-9H2,1H3,(H3,13,15,16)/b14-11+
InChIKeyYVYMZBNFARSALR-SDNWHVSQSA-N
XLogP2.02
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(E)-[2-(2-butoxyethyl)cyclopentylidene]amino]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(E)-[2-(2-butoxyethyl)cyclopentylidene]amino]urea?
The IUPAC name of [(E)-[2-(2-butoxyethyl)cyclopentylidene]amino]urea (CID 58020445) is [(E)-[2-(2-butoxyethyl)cyclopentylidene]amino]urea.
What is the SMILES notation for [(E)-[2-(2-butoxyethyl)cyclopentylidene]amino]urea?
The canonical SMILES for [(E)-[2-(2-butoxyethyl)cyclopentylidene]amino]urea is CCCCOCCC1CCC/C1=N\NC(N)=O.
What is the InChIKey of [(E)-[2-(2-butoxyethyl)cyclopentylidene]amino]urea?
The InChIKey is YVYMZBNFARSALR-SDNWHVSQSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-2-3-8-17-9-7-10-5-4-6-11(10)14-15-12(13)16/h10H,2-9H2,1H3,(H3,13,15,16)/b14-11+.
What are the key properties of [(E)-[2-(2-butoxyethyl)cyclopentylidene]amino]urea?
[(E)-[2-(2-butoxyethyl)cyclopentylidene]amino]urea has a molecular weight of 241.33 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[2-(2-butoxyethyl)cyclopentylidene]amino]urea is sourced from PubChem (CID 58020445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).