(1R,4S)-1-(phenylmethoxymethyl)spiro[2,3-diazabicyclo[2.2.1]hept-2-ene-7,1'-cyclopentane]

C17H22N2O — CID 16723239

IUPAC(1R,4S)-1-(phenylmethoxymethyl)spiro[2,3-diazabicyclo[2.2.1]hept-2-ene-7,1'-cyclopentane]
SMILESc1ccc(COC[C@]23CC[C@H](N=N2)C32CCCC2)cc1
InChIInChI=1S/C17H22N2O/c1-2-6-14(7-3-1)12-20-13-17-11-8-15(18-19-17)16(17)9-4-5-10-16/h1-3,6-7,15H,4-5,8-13H2/t15-,17-/m0/s1
InChIKeyXGWKLRWFSINJIK-RDJZCZTQSA-N
MW270.38 g/mol
LogP4.13
Rot. Bonds4

About (1R,4S)-1-(phenylmethoxymethyl)spiro[2,3-diazabicyclo[2.2.1]hept-2-ene-7,1'-cyclopentane]

(1R,4S)-1-(phenylmethoxymethyl)spiro[2,3-diazabicyclo[2.2.1]hept-2-ene-7,1'-cyclopentane] (PubChem CID 16723239) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is (1R,4S)-1-(phenylmethoxymethyl)spiro[2,3-diazabicyclo[2.2.1]hept-2-ene-7,1'-cyclopentane].

Molecular Properties

Compound Name(1R,4S)-1-(phenylmethoxymethyl)spiro[2,3-diazabicyclo[2.2.1]hept-2-ene-7,1'-cyclopentane]
PubChem CID16723239
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name(1R,4S)-1-(phenylmethoxymethyl)spiro[2,3-diazabicyclo[2.2.1]hept-2-ene-7,1'-cyclopentane]
SMILESc1ccc(COC[C@]23CC[C@H](N=N2)C32CCCC2)cc1
InChIInChI=1S/C17H22N2O/c1-2-6-14(7-3-1)12-20-13-17-11-8-15(18-19-17)16(17)9-4-5-10-16/h1-3,6-7,15H,4-5,8-13H2/t15-,17-/m0/s1
InChIKeyXGWKLRWFSINJIK-RDJZCZTQSA-N
XLogP4.13
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1R,4S)-1-(phenylmethoxymethyl)spiro[2,3-diazabicyclo[2.2.1]hept-2-ene-7,1'-cyclopentane] with MolForge

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Related Compounds

[1-(phenylmethoxymethyl)cyclopentyl]methanol
CID 83671115
(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
[1-(isocyanatomethyl)cyclopentyl]methoxymethylbenzene
CID 115045614
1-(phenylmethoxymethyl)cyclobutane-1-carbonitrile
CID 97033912
N-methyl-1-[1-(phenylmethoxymethyl)cyclopentyl]methanamine
CID 102940486
N-[[1-(phenylmethoxymethyl)cyclobutyl]methyl]propan-2-amine
CID 102940549
2,2-bis(phenylmethoxymethyl)-1,3-dioxane
CID 59792450
3-fluoro-2-(phenylmethoxymethyl)oxolane-2-carbonitrile
CID 142798963
(2R)-2-methyl-2-(3-phenylmethoxypropyl)cyclohexan-1-ol
CID 131850860
2-methyl-N-[[1-(phenylmethoxymethyl)cyclopentyl]methyl]propan-2-amine
CID 102940491
5-methyl-5-(phenylmethoxymethyl)-2-propan-2-yl-1,3-dioxane
CID 18977333
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245

Frequently Asked Questions

What is the IUPAC name of (1R,4S)-1-(phenylmethoxymethyl)spiro[2,3-diazabicyclo[2.2.1]hept-2-ene-7,1'-cyclopentane]?
The IUPAC name of (1R,4S)-1-(phenylmethoxymethyl)spiro[2,3-diazabicyclo[2.2.1]hept-2-ene-7,1'-cyclopentane] (CID 16723239) is (1R,4S)-1-(phenylmethoxymethyl)spiro[2,3-diazabicyclo[2.2.1]hept-2-ene-7,1'-cyclopentane].
What is the SMILES notation for (1R,4S)-1-(phenylmethoxymethyl)spiro[2,3-diazabicyclo[2.2.1]hept-2-ene-7,1'-cyclopentane]?
The canonical SMILES for (1R,4S)-1-(phenylmethoxymethyl)spiro[2,3-diazabicyclo[2.2.1]hept-2-ene-7,1'-cyclopentane] is c1ccc(COC[C@]23CC[C@H](N=N2)C32CCCC2)cc1.
What is the InChIKey of (1R,4S)-1-(phenylmethoxymethyl)spiro[2,3-diazabicyclo[2.2.1]hept-2-ene-7,1'-cyclopentane]?
The InChIKey is XGWKLRWFSINJIK-RDJZCZTQSA-N. The full InChI is InChI=1S/C17H22N2O/c1-2-6-14(7-3-1)12-20-13-17-11-8-15(18-19-17)16(17)9-4-5-10-16/h1-3,6-7,15H,4-5,8-13H2/t15-,17-/m0/s1.
What are the key properties of (1R,4S)-1-(phenylmethoxymethyl)spiro[2,3-diazabicyclo[2.2.1]hept-2-ene-7,1'-cyclopentane]?
(1R,4S)-1-(phenylmethoxymethyl)spiro[2,3-diazabicyclo[2.2.1]hept-2-ene-7,1'-cyclopentane] has a molecular weight of 270.38 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-1-(phenylmethoxymethyl)spiro[2,3-diazabicyclo[2.2.1]hept-2-ene-7,1'-cyclopentane] is sourced from PubChem (CID 16723239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).