methanamine;2-(1-methylindol-3-yl)acetaldehyde

C12H16N2O — CID 145482195

IUPACmethanamine;2-(1-methylindol-3-yl)acetaldehyde
SMILESCN.Cn1cc(CC=O)c2ccccc21
InChIInChI=1S/C11H11NO.CH5N/c1-12-8-9(6-7-13)10-4-2-3-5-11(10)12;1-2/h2-5,7-8H,6H2,1H3;2H2,1H3
InChIKeyQXPZKJGCVZLVHM-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.49
Rot. Bonds2

About methanamine;2-(1-methylindol-3-yl)acetaldehyde

methanamine;2-(1-methylindol-3-yl)acetaldehyde (PubChem CID 145482195) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is methanamine;2-(1-methylindol-3-yl)acetaldehyde.

Molecular Properties

Compound Namemethanamine;2-(1-methylindol-3-yl)acetaldehyde
PubChem CID145482195
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Namemethanamine;2-(1-methylindol-3-yl)acetaldehyde
SMILESCN.Cn1cc(CC=O)c2ccccc21
InChIInChI=1S/C11H11NO.CH5N/c1-12-8-9(6-7-13)10-4-2-3-5-11(10)12;1-2/h2-5,7-8H,6H2,1H3;2H2,1H3
InChIKeyQXPZKJGCVZLVHM-UHFFFAOYSA-N
XLogP1.49
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-oxoethyl 2-(1-methylindol-3-yl)acetate
CID 134405663
methyl 2-formyl-3-(1-methylindol-3-yl)propanoate
CID 123858693
2-(1,4-dimethylindol-3-yl)acetaldehyde
CID 117194756
3-(1-methylindol-3-yl)propan-1-amine
CID 3930315
3-[(2-ethylphenyl)methyl]-1-methylindole
CID 162400454
N-[1-(1-methylindol-3-yl)propan-2-yl]formamide
CID 166490360
3-(methoxymethyl)-1-methylindole
CID 18711466
3-(2-bromoethyl)-1-methylindole
CID 13153306
N-methyl-N'-[(1-methylindol-3-yl)methyl]methanediamine
CID 115226846
N-methyl-N-[(1-methylindol-3-yl)methyl]-2-oxoacetamide
CID 115166394
4-(1-methylindol-3-yl)butanamide
CID 175206986
N-methyl-2-(1-methylindol-3-yl)acetohydrazide
CID 116844810

Frequently Asked Questions

What is the IUPAC name of methanamine;2-(1-methylindol-3-yl)acetaldehyde?
The IUPAC name of methanamine;2-(1-methylindol-3-yl)acetaldehyde (CID 145482195) is methanamine;2-(1-methylindol-3-yl)acetaldehyde.
What is the SMILES notation for methanamine;2-(1-methylindol-3-yl)acetaldehyde?
The canonical SMILES for methanamine;2-(1-methylindol-3-yl)acetaldehyde is CN.Cn1cc(CC=O)c2ccccc21.
What is the InChIKey of methanamine;2-(1-methylindol-3-yl)acetaldehyde?
The InChIKey is QXPZKJGCVZLVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO.CH5N/c1-12-8-9(6-7-13)10-4-2-3-5-11(10)12;1-2/h2-5,7-8H,6H2,1H3;2H2,1H3.
What are the key properties of methanamine;2-(1-methylindol-3-yl)acetaldehyde?
methanamine;2-(1-methylindol-3-yl)acetaldehyde has a molecular weight of 204.27 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;2-(1-methylindol-3-yl)acetaldehyde is sourced from PubChem (CID 145482195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).