1-cyclopropyl-3-(3-methoxycyclobutyl)urea

C9H16N2O2 — CID 104577595

IUPAC1-cyclopropyl-3-(3-methoxycyclobutyl)urea
SMILESCOC1CC(NC(=O)NC2CC2)C1
InChIInChI=1S/C9H16N2O2/c1-13-8-4-7(5-8)11-9(12)10-6-2-3-6/h6-8H,2-5H2,1H3,(H2,10,11,12)
InChIKeyHQVPEAIKODJYAC-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.63
Rot. Bonds3

About 1-cyclopropyl-3-(3-methoxycyclobutyl)urea

1-cyclopropyl-3-(3-methoxycyclobutyl)urea (PubChem CID 104577595) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-cyclopropyl-3-(3-methoxycyclobutyl)urea.

Molecular Properties

Compound Name1-cyclopropyl-3-(3-methoxycyclobutyl)urea
PubChem CID104577595
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-cyclopropyl-3-(3-methoxycyclobutyl)urea
SMILESCOC1CC(NC(=O)NC2CC2)C1
InChIInChI=1S/C9H16N2O2/c1-13-8-4-7(5-8)11-9(12)10-6-2-3-6/h6-8H,2-5H2,1H3,(H2,10,11,12)
InChIKeyHQVPEAIKODJYAC-UHFFFAOYSA-N
XLogP0.63
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 ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(3-methoxycyclobutyl)urea?
The IUPAC name of 1-cyclopropyl-3-(3-methoxycyclobutyl)urea (CID 104577595) is 1-cyclopropyl-3-(3-methoxycyclobutyl)urea.
What is the SMILES notation for 1-cyclopropyl-3-(3-methoxycyclobutyl)urea?
The canonical SMILES for 1-cyclopropyl-3-(3-methoxycyclobutyl)urea is COC1CC(NC(=O)NC2CC2)C1.
What is the InChIKey of 1-cyclopropyl-3-(3-methoxycyclobutyl)urea?
The InChIKey is HQVPEAIKODJYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-13-8-4-7(5-8)11-9(12)10-6-2-3-6/h6-8H,2-5H2,1H3,(H2,10,11,12).
What are the key properties of 1-cyclopropyl-3-(3-methoxycyclobutyl)urea?
1-cyclopropyl-3-(3-methoxycyclobutyl)urea has a molecular weight of 184.24 g/mol, XLogP of 0.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(3-methoxycyclobutyl)urea is sourced from PubChem (CID 104577595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).