1-cycloheptyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea

C14H24N2O2 — CID 71970571

IUPAC1-cycloheptyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
SMILESO=C(NC1CCCCCC1)NC1CC2CCC1O2
InChIInChI=1S/C14H24N2O2/c17-14(15-10-5-3-1-2-4-6-10)16-12-9-11-7-8-13(12)18-11/h10-13H,1-9H2,(H2,15,16,17)
InChIKeyLVDORJMDPRFIDD-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.33
Rot. Bonds2

About 1-cycloheptyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea

1-cycloheptyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea (PubChem CID 71970571) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-cycloheptyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea.

Molecular Properties

Compound Name1-cycloheptyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
PubChem CID71970571
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-cycloheptyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
SMILESO=C(NC1CCCCCC1)NC1CC2CCC1O2
InChIInChI=1S/C14H24N2O2/c17-14(15-10-5-3-1-2-4-6-10)16-12-9-11-7-8-13(12)18-11/h10-13H,1-9H2,(H2,15,16,17)
InChIKeyLVDORJMDPRFIDD-UHFFFAOYSA-N
XLogP2.33
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
The IUPAC name of 1-cycloheptyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea (CID 71970571) is 1-cycloheptyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea.
What is the SMILES notation for 1-cycloheptyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
The canonical SMILES for 1-cycloheptyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea is O=C(NC1CCCCCC1)NC1CC2CCC1O2.
What is the InChIKey of 1-cycloheptyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
The InChIKey is LVDORJMDPRFIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c17-14(15-10-5-3-1-2-4-6-10)16-12-9-11-7-8-13(12)18-11/h10-13H,1-9H2,(H2,15,16,17).
What are the key properties of 1-cycloheptyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea?
1-cycloheptyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea has a molecular weight of 252.36 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea is sourced from PubChem (CID 71970571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).