N,N-dimethylformamide;1-methylindole

C12H16N2O — CID 157183236

IUPACN,N-dimethylformamide;1-methylindole
SMILESCN(C)C=O.Cn1ccc2ccccc21
InChIInChI=1S/C9H9N.C3H7NO/c1-10-7-6-8-4-2-3-5-9(8)10;1-4(2)3-5/h2-7H,1H3;3H,1-2H3
InChIKeyAOUPEGQTMMSJRX-UHFFFAOYSA-N
MW204.27 g/mol
LogP1.88
Rot. Bonds1

About N,N-dimethylformamide;1-methylindole

N,N-dimethylformamide;1-methylindole (PubChem CID 157183236) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is N,N-dimethylformamide;1-methylindole.

Molecular Properties

Compound NameN,N-dimethylformamide;1-methylindole
PubChem CID157183236
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC NameN,N-dimethylformamide;1-methylindole
SMILESCN(C)C=O.Cn1ccc2ccccc21
InChIInChI=1S/C9H9N.C3H7NO/c1-10-7-6-8-4-2-3-5-9(8)10;1-4(2)3-5/h2-7H,1H3;3H,1-2H3
InChIKeyAOUPEGQTMMSJRX-UHFFFAOYSA-N
XLogP1.88
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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N-(diaminomethylidene)formamide;1-methylindole;hydrochloride
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1-methylindole;N-prop-2-enylprop-2-en-1-amine
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CID 158831393
2-methylbenzene-1,3-dicarboxylic acid;1-methylindole
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2-methyl-4,5-dihydro-1H-imidazole;1-methylindole
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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylformamide;1-methylindole?
The IUPAC name of N,N-dimethylformamide;1-methylindole (CID 157183236) is N,N-dimethylformamide;1-methylindole.
What is the SMILES notation for N,N-dimethylformamide;1-methylindole?
The canonical SMILES for N,N-dimethylformamide;1-methylindole is CN(C)C=O.Cn1ccc2ccccc21.
What is the InChIKey of N,N-dimethylformamide;1-methylindole?
The InChIKey is AOUPEGQTMMSJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N.C3H7NO/c1-10-7-6-8-4-2-3-5-9(8)10;1-4(2)3-5/h2-7H,1H3;3H,1-2H3.
What are the key properties of N,N-dimethylformamide;1-methylindole?
N,N-dimethylformamide;1-methylindole has a molecular weight of 204.27 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylformamide;1-methylindole is sourced from PubChem (CID 157183236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).