1-cyclopropyl-3-[(3-methyloxetan-3-yl)methyl]urea

C9H16N2O2 — CID 115624323

IUPAC1-cyclopropyl-3-[(3-methyloxetan-3-yl)methyl]urea
SMILESCC1(CNC(=O)NC2CC2)COC1
InChIInChI=1S/C9H16N2O2/c1-9(5-13-6-9)4-10-8(12)11-7-2-3-7/h7H,2-6H2,1H3,(H2,10,11,12)
InChIKeyBFULEBLUEOSDMV-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.48
Rot. Bonds3

About 1-cyclopropyl-3-[(3-methyloxetan-3-yl)methyl]urea

1-cyclopropyl-3-[(3-methyloxetan-3-yl)methyl]urea (PubChem CID 115624323) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(3-methyloxetan-3-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[(3-methyloxetan-3-yl)methyl]urea
PubChem CID115624323
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name1-cyclopropyl-3-[(3-methyloxetan-3-yl)methyl]urea
SMILESCC1(CNC(=O)NC2CC2)COC1
InChIInChI=1S/C9H16N2O2/c1-9(5-13-6-9)4-10-8(12)11-7-2-3-7/h7H,2-6H2,1H3,(H2,10,11,12)
InChIKeyBFULEBLUEOSDMV-UHFFFAOYSA-N
XLogP0.48
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 ≤ 50.48
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-methyloxetan-3-yl)methyl]urea?
The IUPAC name of 1-cyclopropyl-3-[(3-methyloxetan-3-yl)methyl]urea (CID 115624323) is 1-cyclopropyl-3-[(3-methyloxetan-3-yl)methyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[(3-methyloxetan-3-yl)methyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[(3-methyloxetan-3-yl)methyl]urea is CC1(CNC(=O)NC2CC2)COC1.
What is the InChIKey of 1-cyclopropyl-3-[(3-methyloxetan-3-yl)methyl]urea?
The InChIKey is BFULEBLUEOSDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-9(5-13-6-9)4-10-8(12)11-7-2-3-7/h7H,2-6H2,1H3,(H2,10,11,12).
What are the key properties of 1-cyclopropyl-3-[(3-methyloxetan-3-yl)methyl]urea?
1-cyclopropyl-3-[(3-methyloxetan-3-yl)methyl]urea has a molecular weight of 184.24 g/mol, XLogP of 0.48, 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-methyloxetan-3-yl)methyl]urea is sourced from PubChem (CID 115624323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).