1-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea

C19H24N2O2 — CID 124841179

IUPAC1-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
SMILESO=C(NC[C@@H]1C[C@@]12CCc1ccccc12)N[C@H]1C[C@H]2CC[C@H]1O2
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)/t13-,14+,16-,17+,19-/m0/s1
InChIKeyYOLZBGMKXFJFJD-JLFGJHNZSA-N
MW312.41 g/mol
LogP2.51
Rot. Bonds3

About 1-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea

1-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea (PubChem CID 124841179) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 1-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea.

Molecular Properties

Compound Name1-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
PubChem CID124841179
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name1-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
SMILESO=C(NC[C@@H]1C[C@@]12CCc1ccccc12)N[C@H]1C[C@H]2CC[C@H]1O2
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)/t13-,14+,16-,17+,19-/m0/s1
InChIKeyYOLZBGMKXFJFJD-JLFGJHNZSA-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

Analyze 1-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea with MolForge

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Related Compounds

1-cyclopropyl-3-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 97050624
1-benzyl-3-(7-oxabicyclo[2.2.1]heptan-2-yl)urea
CID 103760232
1-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-3-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 100579847
1-[(3S)-1-acetylpyrrolidin-3-yl]-3-[[(1'S,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 97226718
1-[(3S)-1-acetylpyrrolidin-3-yl]-3-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 97226716
N-(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-ylmethyl)furan-3-carboxamide
CID 71972459
N-[2-[[(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methylcarbamoylamino]ethyl]cyclopropanecarboxamide
CID 97225874
1-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-[(1-phenylsulfanylcyclopropyl)methyl]urea
CID 129378614
1-[[(2R,3R)-1-methyl-2-phenylpiperidin-3-yl]methyl]-3-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]urea
CID 129424882
3-methyl-N-[[(1'S,3R)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]furan-2-carboxamide
CID 97051941
1-(1-methylpyrazol-4-yl)-3-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea
CID 97010008
1-[(3S)-2-oxopiperidin-3-yl]-3-[[(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methyl]urea
CID 98850145

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea?
The IUPAC name of 1-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea (CID 124841179) is 1-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea.
What is the SMILES notation for 1-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea?
The canonical SMILES for 1-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea is O=C(NC[C@@H]1C[C@@]12CCc1ccccc12)N[C@H]1C[C@H]2CC[C@H]1O2.
What is the InChIKey of 1-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea?
The InChIKey is YOLZBGMKXFJFJD-JLFGJHNZSA-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)/t13-,14+,16-,17+,19-/m0/s1.
What are the key properties of 1-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea?
1-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]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-[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-3-[[(1'R,3S)-spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-yl]methyl]urea is sourced from PubChem (CID 124841179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).