2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yliminomethyl)phenol

C18H17NO3 — CID 135598162

IUPAC2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yliminomethyl)phenol
SMILESOc1ccccc1/C=N/c1ccc2c(c1)OC1(CCCC1)O2
InChIInChI=1S/C18H17NO3/c20-15-6-2-1-5-13(15)12-19-14-7-8-16-17(11-14)22-18(21-16)9-3-4-10-18/h1-2,5-8,11-12,20H,3-4,9-10H2/b19-12+
InChIKeyBATGNOWSBOYFEN-XDHOZWIPSA-N
MW295.34 g/mol
LogP4.18
Rot. Bonds2

About 2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yliminomethyl)phenol

2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yliminomethyl)phenol (PubChem CID 135598162) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yliminomethyl)phenol.

Molecular Properties

Compound Name2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yliminomethyl)phenol
PubChem CID135598162
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yliminomethyl)phenol
SMILESOc1ccccc1/C=N/c1ccc2c(c1)OC1(CCCC1)O2
InChIInChI=1S/C18H17NO3/c20-15-6-2-1-5-13(15)12-19-14-7-8-16-17(11-14)22-18(21-16)9-3-4-10-18/h1-2,5-8,11-12,20H,3-4,9-10H2/b19-12+
InChIKeyBATGNOWSBOYFEN-XDHOZWIPSA-N
XLogP4.18
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-(hydroxymethyl)-2-methyl-4-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yliminomethyl)pyridin-3-ol
CID 135828772
2-[[4-[[4-[(2-hydroxyphenyl)methylideneamino]phenyl]diselanyl]phenyl]iminomethyl]phenol
CID 170941504
2-[[4-[4-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]phenyl]phenyl]iminomethyl]phenol
CID 3900677
palladium;bis(2-(phenyliminomethyl)phenol)
CID 162453521
2-[[6-[(2-hydroxyphenyl)methylideneamino]-9H-carbazol-3-yl]iminomethyl]phenol
CID 136828590
2-[(3,4,5-triphenylphenyl)iminomethyl]phenol
CID 136859493
5-bromospiro[1,3-benzodioxole-2,1'-cyclohexane]
CID 15700682
2-[(4-chloro-3-methylphenyl)iminomethyl]phenol
CID 135657353
2-[[4-(1,2,2-triphenylethenyl)phenyl]iminomethyl]phenol
CID 137230306
2-[(3,5-dimethylphenyl)iminomethyl]phenol
CID 4108135
2-[[4-[2-[4-[(2-hydroxyphenyl)methylideneamino]phenyl]ethyl]phenyl]iminomethyl]phenol
CID 135440137
2-(1,3-benzodioxol-5-yliminomethyl)-4-[(3-bromophenyl)diazenyl]phenol
CID 170650888

Frequently Asked Questions

What is the IUPAC name of 2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yliminomethyl)phenol?
The IUPAC name of 2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yliminomethyl)phenol (CID 135598162) is 2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yliminomethyl)phenol.
What is the SMILES notation for 2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yliminomethyl)phenol?
The canonical SMILES for 2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yliminomethyl)phenol is Oc1ccccc1/C=N/c1ccc2c(c1)OC1(CCCC1)O2.
What is the InChIKey of 2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yliminomethyl)phenol?
The InChIKey is BATGNOWSBOYFEN-XDHOZWIPSA-N. The full InChI is InChI=1S/C18H17NO3/c20-15-6-2-1-5-13(15)12-19-14-7-8-16-17(11-14)22-18(21-16)9-3-4-10-18/h1-2,5-8,11-12,20H,3-4,9-10H2/b19-12+.
What are the key properties of 2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yliminomethyl)phenol?
2-(spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yliminomethyl)phenol has a molecular weight of 295.34 g/mol, XLogP of 4.18, 2 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-yliminomethyl)phenol is sourced from PubChem (CID 135598162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).