5-methyl-3-(2-methylpropyliminomethyl)-1H-indol-2-ol

C14H18N2O — CID 136996443

IUPAC5-methyl-3-(2-methylpropyliminomethyl)-1H-indol-2-ol
SMILESCc1ccc2[nH]c(O)c(/C=N/CC(C)C)c2c1
InChIInChI=1S/C14H18N2O/c1-9(2)7-15-8-12-11-6-10(3)4-5-13(11)16-14(12)17/h4-6,8-9,16-17H,7H2,1-3H3/b15-8+
InChIKeyMRDQBRXVMVWTRF-OVCLIPMQSA-N
MW230.31 g/mol
LogP3.26
Rot. Bonds3

About 5-methyl-3-(2-methylpropyliminomethyl)-1H-indol-2-ol

5-methyl-3-(2-methylpropyliminomethyl)-1H-indol-2-ol (PubChem CID 136996443) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 5-methyl-3-(2-methylpropyliminomethyl)-1H-indol-2-ol.

Molecular Properties

Compound Name5-methyl-3-(2-methylpropyliminomethyl)-1H-indol-2-ol
PubChem CID136996443
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name5-methyl-3-(2-methylpropyliminomethyl)-1H-indol-2-ol
SMILESCc1ccc2[nH]c(O)c(/C=N/CC(C)C)c2c1
InChIInChI=1S/C14H18N2O/c1-9(2)7-15-8-12-11-6-10(3)4-5-13(11)16-14(12)17/h4-6,8-9,16-17H,7H2,1-3H3/b15-8+
InChIKeyMRDQBRXVMVWTRF-OVCLIPMQSA-N
XLogP3.26
TPSA48.38 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-3-[(4-methylphenyl)methyliminomethyl]-1H-indol-2-ol
CID 136996612
3-[(4-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol
CID 136996528
3-[(3-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol
CID 136996527
3-[(2,5-dimethoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol
CID 136996534
5-methyl-3-nitroso-1H-indol-2-ol
CID 583072
5-methyl-3-[[3-(trifluoromethyl)phenyl]iminomethyl]-1H-indol-2-ol
CID 136996538
3-[(5-chloro-2-methoxyphenyl)iminomethyl]-5-methyl-1H-indol-2-ol
CID 136996523
5-methoxy-3-[(2-methoxy-5-methylphenyl)iminomethyl]-1H-indol-2-ol
CID 136996378
3-[(2-bromo-4-methylphenyl)iminomethyl]-5-methoxy-1H-indol-2-ol
CID 136996408
3-[2-(2-fluorophenyl)ethyliminomethyl]-6-methyl-1H-indol-2-ol
CID 136996625
5-chloro-3-[2-(4-methoxyphenyl)ethyliminomethyl]-1H-indol-2-ol
CID 136996187
3-(tert-butyliminomethyl)-5-fluoro-1H-indol-2-ol
CID 136996051

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2-methylpropyliminomethyl)-1H-indol-2-ol?
The IUPAC name of 5-methyl-3-(2-methylpropyliminomethyl)-1H-indol-2-ol (CID 136996443) is 5-methyl-3-(2-methylpropyliminomethyl)-1H-indol-2-ol.
What is the SMILES notation for 5-methyl-3-(2-methylpropyliminomethyl)-1H-indol-2-ol?
The canonical SMILES for 5-methyl-3-(2-methylpropyliminomethyl)-1H-indol-2-ol is Cc1ccc2[nH]c(O)c(/C=N/CC(C)C)c2c1.
What is the InChIKey of 5-methyl-3-(2-methylpropyliminomethyl)-1H-indol-2-ol?
The InChIKey is MRDQBRXVMVWTRF-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H18N2O/c1-9(2)7-15-8-12-11-6-10(3)4-5-13(11)16-14(12)17/h4-6,8-9,16-17H,7H2,1-3H3/b15-8+.
What are the key properties of 5-methyl-3-(2-methylpropyliminomethyl)-1H-indol-2-ol?
5-methyl-3-(2-methylpropyliminomethyl)-1H-indol-2-ol has a molecular weight of 230.31 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-methylpropyliminomethyl)-1H-indol-2-ol is sourced from PubChem (CID 136996443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).