N-methyl-1-(1-methylindol-2-yl)methanimine oxide

C11H12N2O — CID 10702776

IUPACN-methyl-1-(1-methylindol-2-yl)methanimine oxide
SMILESCn1c(/C=[N+](/C)[O-])cc2ccccc21
InChIInChI=1S/C11H12N2O/c1-12(14)8-10-7-9-5-3-4-6-11(9)13(10)2/h3-8H,1-2H3/b12-8-
InChIKeyMTLUKOPCOJJEKW-WQLSENKSSA-N
MW188.23 g/mol
LogP1.74
Rot. Bonds1

About N-methyl-1-(1-methylindol-2-yl)methanimine oxide

N-methyl-1-(1-methylindol-2-yl)methanimine oxide (PubChem CID 10702776) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is N-methyl-1-(1-methylindol-2-yl)methanimine oxide.

Molecular Properties

Compound NameN-methyl-1-(1-methylindol-2-yl)methanimine oxide
PubChem CID10702776
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC NameN-methyl-1-(1-methylindol-2-yl)methanimine oxide
SMILESCn1c(/C=[N+](/C)[O-])cc2ccccc21
InChIInChI=1S/C11H12N2O/c1-12(14)8-10-7-9-5-3-4-6-11(9)13(10)2/h3-8H,1-2H3/b12-8-
InChIKeyMTLUKOPCOJJEKW-WQLSENKSSA-N
XLogP1.74
TPSA31.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-[(1Z)-buta-1,3-dienyl]-1-methylindole
CID 142244714
(E)-3-(1-methylindol-2-yl)prop-2-enal
CID 146445442
2-[(1-methylindol-2-yl)methylidene]propanedioic acid
CID 170895345
CID 175336040
CID 175336040
3-(1-methylindol-2-yl)-1-phenylprop-2-en-1-one
CID 118108345
2-[(E)-2-(1,3-dioxolan-2-yl)ethenyl]-1-methylindole
CID 14358702
3-iodo-1-methylquinolin-2-one
CID 15733001
3-bromo-2-[2-(1-methylindol-2-yl)ethenyl]phenol
CID 86191765
4-fluoro-2-[(E)-2-(1-methylindol-2-yl)ethenyl]phenol
CID 19689621
2,6-dichloro-N-[(E)-(1-methylindol-2-yl)methylideneamino]aniline
CID 154926282
2-[bis(phenylsulfanyl)methyl]-1-methylindole
CID 15175184
N,1-dimethylindol-2-amine
CID 11744928

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylindol-2-yl)methanimine oxide?
The IUPAC name of N-methyl-1-(1-methylindol-2-yl)methanimine oxide (CID 10702776) is N-methyl-1-(1-methylindol-2-yl)methanimine oxide.
What is the SMILES notation for N-methyl-1-(1-methylindol-2-yl)methanimine oxide?
The canonical SMILES for N-methyl-1-(1-methylindol-2-yl)methanimine oxide is Cn1c(/C=[N+](/C)[O-])cc2ccccc21.
What is the InChIKey of N-methyl-1-(1-methylindol-2-yl)methanimine oxide?
The InChIKey is MTLUKOPCOJJEKW-WQLSENKSSA-N. The full InChI is InChI=1S/C11H12N2O/c1-12(14)8-10-7-9-5-3-4-6-11(9)13(10)2/h3-8H,1-2H3/b12-8-.
What are the key properties of N-methyl-1-(1-methylindol-2-yl)methanimine oxide?
N-methyl-1-(1-methylindol-2-yl)methanimine oxide has a molecular weight of 188.23 g/mol, XLogP of 1.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylindol-2-yl)methanimine oxide is sourced from PubChem (CID 10702776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).