1-(cyclobutylmethyl)-3-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)urea

C14H24N2O2 — CID 71874166

IUPAC1-(cyclobutylmethyl)-3-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)urea
SMILESCC1(C)C(NC(=O)NCC2CCC2)C2CCOC21
InChIInChI=1S/C14H24N2O2/c1-14(2)11(10-6-7-18-12(10)14)16-13(17)15-8-9-4-3-5-9/h9-12H,3-8H2,1-2H3,(H2,15,16,17)
InChIKeyYMWHHWZUXGNNSU-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.90
Rot. Bonds3

About 1-(cyclobutylmethyl)-3-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)urea

1-(cyclobutylmethyl)-3-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)urea (PubChem CID 71874166) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-3-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)urea.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-3-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)urea
PubChem CID71874166
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-(cyclobutylmethyl)-3-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)urea
SMILESCC1(C)C(NC(=O)NCC2CCC2)C2CCOC21
InChIInChI=1S/C14H24N2O2/c1-14(2)11(10-6-7-18-12(10)14)16-13(17)15-8-9-4-3-5-9/h9-12H,3-8H2,1-2H3,(H2,15,16,17)
InChIKeyYMWHHWZUXGNNSU-UHFFFAOYSA-N
XLogP1.90
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-3-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)urea?
The IUPAC name of 1-(cyclobutylmethyl)-3-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)urea (CID 71874166) is 1-(cyclobutylmethyl)-3-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)urea.
What is the SMILES notation for 1-(cyclobutylmethyl)-3-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)urea?
The canonical SMILES for 1-(cyclobutylmethyl)-3-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)urea is CC1(C)C(NC(=O)NCC2CCC2)C2CCOC21.
What is the InChIKey of 1-(cyclobutylmethyl)-3-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)urea?
The InChIKey is YMWHHWZUXGNNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-14(2)11(10-6-7-18-12(10)14)16-13(17)15-8-9-4-3-5-9/h9-12H,3-8H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-(cyclobutylmethyl)-3-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)urea?
1-(cyclobutylmethyl)-3-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)urea has a molecular weight of 252.36 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-3-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)urea is sourced from PubChem (CID 71874166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).