1-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-3-(2-methoxyethyl)urea

C10H19N3O2 — CID 165451259

IUPAC1-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NCC1C2CNCC21
InChIInChI=1S/C10H19N3O2/c1-15-3-2-12-10(14)13-6-9-7-4-11-5-8(7)9/h7-9,11H,2-6H2,1H3,(H2,12,13,14)
InChIKeyBBLGLMWVCHEUHG-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.60
Rot. Bonds5

About 1-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-3-(2-methoxyethyl)urea

1-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-3-(2-methoxyethyl)urea (PubChem CID 165451259) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-3-(2-methoxyethyl)urea.

Molecular Properties

Compound Name1-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-3-(2-methoxyethyl)urea
PubChem CID165451259
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name1-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-3-(2-methoxyethyl)urea
SMILESCOCCNC(=O)NCC1C2CNCC21
InChIInChI=1S/C10H19N3O2/c1-15-3-2-12-10(14)13-6-9-7-4-11-5-8(7)9/h7-9,11H,2-6H2,1H3,(H2,12,13,14)
InChIKeyBBLGLMWVCHEUHG-UHFFFAOYSA-N
XLogP-0.60
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-3-(2-methoxyethyl)urea?
The IUPAC name of 1-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-3-(2-methoxyethyl)urea (CID 165451259) is 1-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-3-(2-methoxyethyl)urea.
What is the SMILES notation for 1-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-3-(2-methoxyethyl)urea?
The canonical SMILES for 1-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-3-(2-methoxyethyl)urea is COCCNC(=O)NCC1C2CNCC21.
What is the InChIKey of 1-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-3-(2-methoxyethyl)urea?
The InChIKey is BBLGLMWVCHEUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-15-3-2-12-10(14)13-6-9-7-4-11-5-8(7)9/h7-9,11H,2-6H2,1H3,(H2,12,13,14).
What are the key properties of 1-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-3-(2-methoxyethyl)urea?
1-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-3-(2-methoxyethyl)urea has a molecular weight of 213.28 g/mol, XLogP of -0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-azabicyclo[3.1.0]hexan-6-ylmethyl)-3-(2-methoxyethyl)urea is sourced from PubChem (CID 165451259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).