3-(cyclooctyliminomethyl)-1H-indol-2-ol

C17H22N2O — CID 2256129

IUPAC3-(cyclooctyliminomethyl)-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1/C=N/C1CCCCCCC1
InChIInChI=1S/C17H22N2O/c20-17-15(14-10-6-7-11-16(14)19-17)12-18-13-8-4-2-1-3-5-9-13/h6-7,10-13,19-20H,1-5,8-9H2/b18-12+
InChIKeyYBQHPNAULUECGA-LDADJPATSA-N
MW270.38 g/mol
LogP4.41
Rot. Bonds2

About 3-(cyclooctyliminomethyl)-1H-indol-2-ol

3-(cyclooctyliminomethyl)-1H-indol-2-ol (PubChem CID 2256129) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-(cyclooctyliminomethyl)-1H-indol-2-ol.

Molecular Properties

Compound Name3-(cyclooctyliminomethyl)-1H-indol-2-ol
PubChem CID2256129
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name3-(cyclooctyliminomethyl)-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1/C=N/C1CCCCCCC1
InChIInChI=1S/C17H22N2O/c20-17-15(14-10-6-7-11-16(14)19-17)12-18-13-8-4-2-1-3-5-9-13/h6-7,10-13,19-20H,1-5,8-9H2/b18-12+
InChIKeyYBQHPNAULUECGA-LDADJPATSA-N
XLogP4.41
TPSA48.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclooctyliminomethyl)-1H-indol-2-ol?
The IUPAC name of 3-(cyclooctyliminomethyl)-1H-indol-2-ol (CID 2256129) is 3-(cyclooctyliminomethyl)-1H-indol-2-ol.
What is the SMILES notation for 3-(cyclooctyliminomethyl)-1H-indol-2-ol?
The canonical SMILES for 3-(cyclooctyliminomethyl)-1H-indol-2-ol is Oc1[nH]c2ccccc2c1/C=N/C1CCCCCCC1.
What is the InChIKey of 3-(cyclooctyliminomethyl)-1H-indol-2-ol?
The InChIKey is YBQHPNAULUECGA-LDADJPATSA-N. The full InChI is InChI=1S/C17H22N2O/c20-17-15(14-10-6-7-11-16(14)19-17)12-18-13-8-4-2-1-3-5-9-13/h6-7,10-13,19-20H,1-5,8-9H2/b18-12+.
What are the key properties of 3-(cyclooctyliminomethyl)-1H-indol-2-ol?
3-(cyclooctyliminomethyl)-1H-indol-2-ol has a molecular weight of 270.38 g/mol, XLogP of 4.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclooctyliminomethyl)-1H-indol-2-ol is sourced from PubChem (CID 2256129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).