1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)urea

C19H24N2O2 — CID 86769584

IUPAC1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)urea
SMILESO=C(NCC1CC12CCc1ccccc12)NC1CC2CCC1O2
InChIInChI=1S/C19H24N2O2/c22-18(21-16-9-14-5-6-17(16)23-14)20-11-13-10-19(13)8-7-12-3-1-2-4-15(12)19/h1-4,13-14,16-17H,5-11H2,(H2,20,21,22)
InChIKeyYOLZBGMKXFJFJD-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.51
Rot. Bonds3

About 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)urea

1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)urea (PubChem CID 86769584) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)urea.

Molecular Properties

Compound Name1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)urea
PubChem CID86769584
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)urea
SMILESO=C(NCC1CC12CCc1ccccc12)NC1CC2CCC1O2
InChIInChI=1S/C19H24N2O2/c22-18(21-16-9-14-5-6-17(16)23-14)20-11-13-10-19(13)8-7-12-3-1-2-4-15(12)19/h1-4,13-14,16-17H,5-11H2,(H2,20,21,22)
InChIKeyYOLZBGMKXFJFJD-UHFFFAOYSA-N
XLogP2.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.51
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-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)urea?
The IUPAC name of 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)urea (CID 86769584) is 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)urea.
What is the SMILES notation for 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)urea?
The canonical SMILES for 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)urea is O=C(NCC1CC12CCc1ccccc12)NC1CC2CCC1O2.
What is the InChIKey of 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)urea?
The InChIKey is YOLZBGMKXFJFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c22-18(21-16-9-14-5-6-17(16)23-14)20-11-13-10-19(13)8-7-12-3-1-2-4-15(12)19/h1-4,13-14,16-17H,5-11H2,(H2,20,21,22).
What are the key properties of 1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)urea?
1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)urea has a molecular weight of 312.41 g/mol, XLogP of 2.51, 3 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-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)urea is sourced from PubChem (CID 86769584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).