5-chloro-3-(oxolan-2-ylmethyliminomethyl)-1H-indol-2-ol

C14H15ClN2O2 — CID 136996162

IUPAC5-chloro-3-(oxolan-2-ylmethyliminomethyl)-1H-indol-2-ol
SMILESOc1[nH]c2ccc(Cl)cc2c1/C=N/CC1CCCO1
InChIInChI=1S/C14H15ClN2O2/c15-9-3-4-13-11(6-9)12(14(18)17-13)8-16-7-10-2-1-5-19-10/h3-4,6,8,10,17-18H,1-2,5,7H2/b16-8+
InChIKeyJTFSTMBVIYPQTC-LZYBPNLTSA-N
MW278.74 g/mol
LogP3.12
Rot. Bonds3

About 5-chloro-3-(oxolan-2-ylmethyliminomethyl)-1H-indol-2-ol

5-chloro-3-(oxolan-2-ylmethyliminomethyl)-1H-indol-2-ol (PubChem CID 136996162) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 5-chloro-3-(oxolan-2-ylmethyliminomethyl)-1H-indol-2-ol.

Molecular Properties

Compound Name5-chloro-3-(oxolan-2-ylmethyliminomethyl)-1H-indol-2-ol
PubChem CID136996162
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name5-chloro-3-(oxolan-2-ylmethyliminomethyl)-1H-indol-2-ol
SMILESOc1[nH]c2ccc(Cl)cc2c1/C=N/CC1CCCO1
InChIInChI=1S/C14H15ClN2O2/c15-9-3-4-13-11(6-9)12(14(18)17-13)8-16-7-10-2-1-5-19-10/h3-4,6,8,10,17-18H,1-2,5,7H2/b16-8+
InChIKeyJTFSTMBVIYPQTC-LZYBPNLTSA-N
XLogP3.12
TPSA57.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[(2R)-oxolan-2-yl]methyliminomethyl]-1H-indol-2-ol
CID 136783634
1-[[(2S)-oxolan-2-yl]methyliminomethyl]naphthalen-2-ol
CID 691470
5-chloro-3-[[4-(4-methylpiperidin-1-yl)phenyl]iminomethyl]-1H-indol-2-ol
CID 136996251
5-chloro-3-[2-(4-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol
CID 136996187
4-bromo-2-[[(2R)-oxolan-2-yl]methyliminomethyl]phenol
CID 691917
1-(3,4-dimethylphenyl)-6-hydroxy-5-[[(2S)-oxolan-2-yl]methyliminomethyl]pyrimidine-2,4-dione
CID 938580
1-(3,4-dimethylphenyl)-6-hydroxy-5-(oxolan-2-ylmethyliminomethyl)pyrimidine-2,4-dione
CID 3755710
5-chloro-3-[(3,5-dimethoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 135605392
3-[(2,4-dichlorophenyl)methyliminomethyl]-1H-indol-2-ol
CID 2256130
5-chloro-3-[(4-methoxyphenyl)iminomethyl]-1H-indol-2-ol
CID 135481823
5-chloro-3-[(3-methyl-4-propan-2-ylphenyl)iminomethyl]-1H-indol-2-ol
CID 135433555
6-chloro-3-[2-(dimethylamino)ethyliminomethyl]-1H-indol-2-ol
CID 137006375

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(oxolan-2-ylmethyliminomethyl)-1H-indol-2-ol?
The IUPAC name of 5-chloro-3-(oxolan-2-ylmethyliminomethyl)-1H-indol-2-ol (CID 136996162) is 5-chloro-3-(oxolan-2-ylmethyliminomethyl)-1H-indol-2-ol.
What is the SMILES notation for 5-chloro-3-(oxolan-2-ylmethyliminomethyl)-1H-indol-2-ol?
The canonical SMILES for 5-chloro-3-(oxolan-2-ylmethyliminomethyl)-1H-indol-2-ol is Oc1[nH]c2ccc(Cl)cc2c1/C=N/CC1CCCO1.
What is the InChIKey of 5-chloro-3-(oxolan-2-ylmethyliminomethyl)-1H-indol-2-ol?
The InChIKey is JTFSTMBVIYPQTC-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c15-9-3-4-13-11(6-9)12(14(18)17-13)8-16-7-10-2-1-5-19-10/h3-4,6,8,10,17-18H,1-2,5,7H2/b16-8+.
What are the key properties of 5-chloro-3-(oxolan-2-ylmethyliminomethyl)-1H-indol-2-ol?
5-chloro-3-(oxolan-2-ylmethyliminomethyl)-1H-indol-2-ol has a molecular weight of 278.74 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(oxolan-2-ylmethyliminomethyl)-1H-indol-2-ol is sourced from PubChem (CID 136996162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).