1-(2-cyclopropylcyclobutyl)-3-methoxyurea

C9H16N2O2 — CID 130725595

IUPAC1-(2-cyclopropylcyclobutyl)-3-methoxyurea
SMILESCONC(=O)NC1CCC1C1CC1
InChIInChI=1S/C9H16N2O2/c1-13-11-9(12)10-8-5-4-7(8)6-2-3-6/h6-8H,2-5H2,1H3,(H2,10,11,12)
InChIKeyQHTBVJPUHQTCSL-UHFFFAOYSA-N
MW184.24 g/mol
LogP1.04
Rot. Bonds3

About 1-(2-cyclopropylcyclobutyl)-3-methoxyurea

1-(2-cyclopropylcyclobutyl)-3-methoxyurea (PubChem CID 130725595) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-(2-cyclopropylcyclobutyl)-3-methoxyurea.

Molecular Properties

Compound Name1-(2-cyclopropylcyclobutyl)-3-methoxyurea
PubChem CID130725595
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-(2-cyclopropylcyclobutyl)-3-methoxyurea
SMILESCONC(=O)NC1CCC1C1CC1
InChIInChI=1S/C9H16N2O2/c1-13-11-9(12)10-8-5-4-7(8)6-2-3-6/h6-8H,2-5H2,1H3,(H2,10,11,12)
InChIKeyQHTBVJPUHQTCSL-UHFFFAOYSA-N
XLogP1.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylcyclobutyl)-3-methoxyurea?
The IUPAC name of 1-(2-cyclopropylcyclobutyl)-3-methoxyurea (CID 130725595) is 1-(2-cyclopropylcyclobutyl)-3-methoxyurea.
What is the SMILES notation for 1-(2-cyclopropylcyclobutyl)-3-methoxyurea?
The canonical SMILES for 1-(2-cyclopropylcyclobutyl)-3-methoxyurea is CONC(=O)NC1CCC1C1CC1.
What is the InChIKey of 1-(2-cyclopropylcyclobutyl)-3-methoxyurea?
The InChIKey is QHTBVJPUHQTCSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-13-11-9(12)10-8-5-4-7(8)6-2-3-6/h6-8H,2-5H2,1H3,(H2,10,11,12).
What are the key properties of 1-(2-cyclopropylcyclobutyl)-3-methoxyurea?
1-(2-cyclopropylcyclobutyl)-3-methoxyurea has a molecular weight of 184.24 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylcyclobutyl)-3-methoxyurea is sourced from PubChem (CID 130725595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).