2-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylmorpholine

C15H19NO3 — CID 117407511

IUPAC2-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylmorpholine
SMILESc1cc2c(cc1C1CNCCO1)OC1(CCCC1)O2
InChIInChI=1S/C15H19NO3/c1-2-6-15(5-1)18-12-4-3-11(9-13(12)19-15)14-10-16-7-8-17-14/h3-4,9,14,16H,1-2,5-8,10H2
InChIKeyUBWLBPDJPVLPID-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.39
Rot. Bonds1

About 2-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylmorpholine

2-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylmorpholine (PubChem CID 117407511) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylmorpholine.

Molecular Properties

Compound Name2-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylmorpholine
PubChem CID117407511
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylmorpholine
SMILESc1cc2c(cc1C1CNCCO1)OC1(CCCC1)O2
InChIInChI=1S/C15H19NO3/c1-2-6-15(5-1)18-12-4-3-11(9-13(12)19-15)14-10-16-7-8-17-14/h3-4,9,14,16H,1-2,5-8,10H2
InChIKeyUBWLBPDJPVLPID-UHFFFAOYSA-N
XLogP2.39
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpyrrolidine
CID 117365379
2-(3,4-dimethylphenyl)morpholine
CID 43169342
2-(3-fluoro-4-methylphenyl)morpholine
CID 65122034
2-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpiperidine
CID 117436350
2-(3-bromo-4-cyclopropylphenyl)morpholine
CID 117453196
2-bromo-4-morpholin-2-ylphenol
CID 82623546
2-(3-bromo-4-methylphenyl)morpholine
CID 83730909
2-(4-bromo-3-chlorophenyl)morpholine
CID 83745004
(2S)-2-(3-bromophenyl)morpholine
CID 28806253
(2R)-2-(4-fluoro-3-methylphenyl)morpholine
CID 94254202
2-[3-(4,4-dimethylcyclohexyl)phenyl]morpholine
CID 117436588
(2R)-2-(4-chlorophenyl)morpholine;hydrochloride
CID 119056973

Frequently Asked Questions

What is the IUPAC name of 2-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylmorpholine?
The IUPAC name of 2-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylmorpholine (CID 117407511) is 2-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylmorpholine.
What is the SMILES notation for 2-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylmorpholine?
The canonical SMILES for 2-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylmorpholine is c1cc2c(cc1C1CNCCO1)OC1(CCCC1)O2.
What is the InChIKey of 2-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylmorpholine?
The InChIKey is UBWLBPDJPVLPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-2-6-15(5-1)18-12-4-3-11(9-13(12)19-15)14-10-16-7-8-17-14/h3-4,9,14,16H,1-2,5-8,10H2.
What are the key properties of 2-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylmorpholine?
2-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylmorpholine has a molecular weight of 261.32 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylmorpholine is sourced from PubChem (CID 117407511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).