[(E)-(3-methylcyclopentylidene)amino]urea

C7H13N3O — CID 5380591

IUPAC[(E)-(3-methylcyclopentylidene)amino]urea
SMILESCC1CC/C(=N\NC(N)=O)C1
InChIInChI=1S/C7H13N3O/c1-5-2-3-6(4-5)9-10-7(8)11/h5H,2-4H2,1H3,(H3,8,10,11)/b9-6+
InChIKeyCGSQOSPHYNOTBB-RMKNXTFCSA-N
MW155.20 g/mol
LogP0.83
Rot. Bonds1

About [(E)-(3-methylcyclopentylidene)amino]urea

[(E)-(3-methylcyclopentylidene)amino]urea (PubChem CID 5380591) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is [(E)-(3-methylcyclopentylidene)amino]urea.

Molecular Properties

Compound Name[(E)-(3-methylcyclopentylidene)amino]urea
PubChem CID5380591
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name[(E)-(3-methylcyclopentylidene)amino]urea
SMILESCC1CC/C(=N\NC(N)=O)C1
InChIInChI=1S/C7H13N3O/c1-5-2-3-6(4-5)9-10-7(8)11/h5H,2-4H2,1H3,(H3,8,10,11)/b9-6+
InChIKeyCGSQOSPHYNOTBB-RMKNXTFCSA-N
XLogP0.83
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.83
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 [(E)-(3-methylcyclopentylidene)amino]urea?
The IUPAC name of [(E)-(3-methylcyclopentylidene)amino]urea (CID 5380591) is [(E)-(3-methylcyclopentylidene)amino]urea.
What is the SMILES notation for [(E)-(3-methylcyclopentylidene)amino]urea?
The canonical SMILES for [(E)-(3-methylcyclopentylidene)amino]urea is CC1CC/C(=N\NC(N)=O)C1.
What is the InChIKey of [(E)-(3-methylcyclopentylidene)amino]urea?
The InChIKey is CGSQOSPHYNOTBB-RMKNXTFCSA-N. The full InChI is InChI=1S/C7H13N3O/c1-5-2-3-6(4-5)9-10-7(8)11/h5H,2-4H2,1H3,(H3,8,10,11)/b9-6+.
What are the key properties of [(E)-(3-methylcyclopentylidene)amino]urea?
[(E)-(3-methylcyclopentylidene)amino]urea has a molecular weight of 155.20 g/mol, XLogP of 0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(3-methylcyclopentylidene)amino]urea is sourced from PubChem (CID 5380591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).