3-[2-(cyclohexen-1-yl)ethyliminomethyl]-1H-indol-2-ol

C17H20N2O — CID 2256128

IUPAC3-[2-(cyclohexen-1-yl)ethyliminomethyl]-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1/C=N/CCC1=CCCCC1
InChIInChI=1S/C17H20N2O/c20-17-15(14-8-4-5-9-16(14)19-17)12-18-11-10-13-6-2-1-3-7-13/h4-6,8-9,12,19-20H,1-3,7,10-11H2/b18-12+
InChIKeyBUYSEYSNXWESEM-LDADJPATSA-N
MW268.36 g/mol
LogP4.18
Rot. Bonds4

About 3-[2-(cyclohexen-1-yl)ethyliminomethyl]-1H-indol-2-ol

3-[2-(cyclohexen-1-yl)ethyliminomethyl]-1H-indol-2-ol (PubChem CID 2256128) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-[2-(cyclohexen-1-yl)ethyliminomethyl]-1H-indol-2-ol.

Molecular Properties

Compound Name3-[2-(cyclohexen-1-yl)ethyliminomethyl]-1H-indol-2-ol
PubChem CID2256128
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC Name3-[2-(cyclohexen-1-yl)ethyliminomethyl]-1H-indol-2-ol
SMILESOc1[nH]c2ccccc2c1/C=N/CCC1=CCCCC1
InChIInChI=1S/C17H20N2O/c20-17-15(14-8-4-5-9-16(14)19-17)12-18-11-10-13-6-2-1-3-7-13/h4-6,8-9,12,19-20H,1-3,7,10-11H2/b18-12+
InChIKeyBUYSEYSNXWESEM-LDADJPATSA-N
XLogP4.18
TPSA48.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2-hydroxyethyliminomethyl)-1H-indol-2-ol
CID 2034851
3-[2-(2-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol
CID 2859778
3-[2-(3-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol
CID 136995960
1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxy-5-(2-phenylethyliminomethyl)-2-sulfanylidenepyrimidin-4-one
CID 3629953
3-(cyclooctyliminomethyl)-1H-indol-2-ol
CID 2256129
3-[(2,4-dichlorophenyl)methyliminomethyl]-1H-indol-2-ol
CID 2256130
3-[2-(2-fluorophenyl)ethyliminomethyl]-6-methyl-1H-indol-2-ol
CID 136996625
3-[(3,4-dimethoxyphenyl)methyliminomethyl]-1H-indol-2-ol
CID 2859784
2-[2-(cyclohexen-1-yl)ethyliminomethyl]-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one
CID 135435549
3-[(4-hydroxyphenyl)iminomethyl]-1H-indol-2-ol
CID 135433426
3-[2-(cyclohexen-1-yl)ethyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 807484
2-(cyclohexen-1-yl)-1H-indole-3-carbaldehyde
CID 53392369

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclohexen-1-yl)ethyliminomethyl]-1H-indol-2-ol?
The IUPAC name of 3-[2-(cyclohexen-1-yl)ethyliminomethyl]-1H-indol-2-ol (CID 2256128) is 3-[2-(cyclohexen-1-yl)ethyliminomethyl]-1H-indol-2-ol.
What is the SMILES notation for 3-[2-(cyclohexen-1-yl)ethyliminomethyl]-1H-indol-2-ol?
The canonical SMILES for 3-[2-(cyclohexen-1-yl)ethyliminomethyl]-1H-indol-2-ol is Oc1[nH]c2ccccc2c1/C=N/CCC1=CCCCC1.
What is the InChIKey of 3-[2-(cyclohexen-1-yl)ethyliminomethyl]-1H-indol-2-ol?
The InChIKey is BUYSEYSNXWESEM-LDADJPATSA-N. The full InChI is InChI=1S/C17H20N2O/c20-17-15(14-8-4-5-9-16(14)19-17)12-18-11-10-13-6-2-1-3-7-13/h4-6,8-9,12,19-20H,1-3,7,10-11H2/b18-12+.
What are the key properties of 3-[2-(cyclohexen-1-yl)ethyliminomethyl]-1H-indol-2-ol?
3-[2-(cyclohexen-1-yl)ethyliminomethyl]-1H-indol-2-ol has a molecular weight of 268.36 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclohexen-1-yl)ethyliminomethyl]-1H-indol-2-ol is sourced from PubChem (CID 2256128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).