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

C13H22N2O2 — CID 71874167

IUPAC1-(cyclopropylmethyl)-3-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)urea
SMILESCC1(C)C(NC(=O)NCC2CC2)C2CCOC21
InChIInChI=1S/C13H22N2O2/c1-13(2)10(9-5-6-17-11(9)13)15-12(16)14-7-8-3-4-8/h8-11H,3-7H2,1-2H3,(H2,14,15,16)
InChIKeyPSNJOCSPZNJEQG-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.51
Rot. Bonds3

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

1-(cyclopropylmethyl)-3-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)urea (PubChem CID 71874167) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)urea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)urea
PubChem CID71874167
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-(cyclopropylmethyl)-3-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)urea
SMILESCC1(C)C(NC(=O)NCC2CC2)C2CCOC21
InChIInChI=1S/C13H22N2O2/c1-13(2)10(9-5-6-17-11(9)13)15-12(16)14-7-8-3-4-8/h8-11H,3-7H2,1-2H3,(H2,14,15,16)
InChIKeyPSNJOCSPZNJEQG-UHFFFAOYSA-N
XLogP1.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)urea?
The IUPAC name of 1-(cyclopropylmethyl)-3-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)urea (CID 71874167) is 1-(cyclopropylmethyl)-3-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)urea.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)urea?
The canonical SMILES for 1-(cyclopropylmethyl)-3-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)urea is CC1(C)C(NC(=O)NCC2CC2)C2CCOC21.
What is the InChIKey of 1-(cyclopropylmethyl)-3-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)urea?
The InChIKey is PSNJOCSPZNJEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-13(2)10(9-5-6-17-11(9)13)15-12(16)14-7-8-3-4-8/h8-11H,3-7H2,1-2H3,(H2,14,15,16).
What are the key properties of 1-(cyclopropylmethyl)-3-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)urea?
1-(cyclopropylmethyl)-3-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)urea has a molecular weight of 238.33 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)urea is sourced from PubChem (CID 71874167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).