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

C14H24N2O2 — CID 71919296

IUPAC1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-[(1-propylcyclopropyl)methyl]urea
SMILESCCCC1(CNC(=O)NC2CC3CCC2O3)CC1
InChIInChI=1S/C14H24N2O2/c1-2-5-14(6-7-14)9-15-13(17)16-11-8-10-3-4-12(11)18-10/h10-12H,2-9H2,1H3,(H2,15,16,17)
InChIKeyHLUNLGUCZUYVAV-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.19
Rot. Bonds5

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

1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-[(1-propylcyclopropyl)methyl]urea (PubChem CID 71919296) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-[(1-propylcyclopropyl)methyl]urea.

Molecular Properties

Compound Name1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-[(1-propylcyclopropyl)methyl]urea
PubChem CID71919296
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-[(1-propylcyclopropyl)methyl]urea
SMILESCCCC1(CNC(=O)NC2CC3CCC2O3)CC1
InChIInChI=1S/C14H24N2O2/c1-2-5-14(6-7-14)9-15-13(17)16-11-8-10-3-4-12(11)18-10/h10-12H,2-9H2,1H3,(H2,15,16,17)
InChIKeyHLUNLGUCZUYVAV-UHFFFAOYSA-N
XLogP2.19
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-[(1-propylcyclopropyl)methyl]urea?
The IUPAC name of 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-[(1-propylcyclopropyl)methyl]urea (CID 71919296) is 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-[(1-propylcyclopropyl)methyl]urea.
What is the SMILES notation for 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-[(1-propylcyclopropyl)methyl]urea?
The canonical SMILES for 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-[(1-propylcyclopropyl)methyl]urea is CCCC1(CNC(=O)NC2CC3CCC2O3)CC1.
What is the InChIKey of 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-[(1-propylcyclopropyl)methyl]urea?
The InChIKey is HLUNLGUCZUYVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-2-5-14(6-7-14)9-15-13(17)16-11-8-10-3-4-12(11)18-10/h10-12H,2-9H2,1H3,(H2,15,16,17).
What are the key properties of 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-[(1-propylcyclopropyl)methyl]urea?
1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-[(1-propylcyclopropyl)methyl]urea has a molecular weight of 252.36 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-[(1-propylcyclopropyl)methyl]urea is sourced from PubChem (CID 71919296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).