1-cyclobutyl-3-propan-2-ylurea

C8H16N2O — CID 67476804

IUPAC1-cyclobutyl-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC1CCC1
InChIInChI=1S/C8H16N2O/c1-6(2)9-8(11)10-7-4-3-5-7/h6-7H,3-5H2,1-2H3,(H2,9,10,11)
InChIKeyHTPUJLMCKHKNJA-UHFFFAOYSA-N
MW156.23 g/mol
LogP1.25
Rot. Bonds2

About 1-cyclobutyl-3-propan-2-ylurea

1-cyclobutyl-3-propan-2-ylurea (PubChem CID 67476804) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-cyclobutyl-3-propan-2-ylurea.

Molecular Properties

Compound Name1-cyclobutyl-3-propan-2-ylurea
PubChem CID67476804
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-cyclobutyl-3-propan-2-ylurea
SMILESCC(C)NC(=O)NC1CCC1
InChIInChI=1S/C8H16N2O/c1-6(2)9-8(11)10-7-4-3-5-7/h6-7H,3-5H2,1-2H3,(H2,9,10,11)
InChIKeyHTPUJLMCKHKNJA-UHFFFAOYSA-N
XLogP1.25
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-propan-2-ylurea?
The IUPAC name of 1-cyclobutyl-3-propan-2-ylurea (CID 67476804) is 1-cyclobutyl-3-propan-2-ylurea.
What is the SMILES notation for 1-cyclobutyl-3-propan-2-ylurea?
The canonical SMILES for 1-cyclobutyl-3-propan-2-ylurea is CC(C)NC(=O)NC1CCC1.
What is the InChIKey of 1-cyclobutyl-3-propan-2-ylurea?
The InChIKey is HTPUJLMCKHKNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-6(2)9-8(11)10-7-4-3-5-7/h6-7H,3-5H2,1-2H3,(H2,9,10,11).
What are the key properties of 1-cyclobutyl-3-propan-2-ylurea?
1-cyclobutyl-3-propan-2-ylurea has a molecular weight of 156.23 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-propan-2-ylurea is sourced from PubChem (CID 67476804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).