2-(1-ethoxyethenyl)-1-methylindole

C13H15NO — CID 143529432

IUPAC2-(1-ethoxyethenyl)-1-methylindole
SMILESC=C(OCC)c1cc2ccccc2n1C
InChIInChI=1S/C13H15NO/c1-4-15-10(2)13-9-11-7-5-6-8-12(11)14(13)3/h5-9H,2,4H2,1,3H3
InChIKeyVCCVAGUYEIDPNI-UHFFFAOYSA-N
MW201.27 g/mol
LogP3.19
Rot. Bonds3

About 2-(1-ethoxyethenyl)-1-methylindole

2-(1-ethoxyethenyl)-1-methylindole (PubChem CID 143529432) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(1-ethoxyethenyl)-1-methylindole.

Molecular Properties

Compound Name2-(1-ethoxyethenyl)-1-methylindole
PubChem CID143529432
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name2-(1-ethoxyethenyl)-1-methylindole
SMILESC=C(OCC)c1cc2ccccc2n1C
InChIInChI=1S/C13H15NO/c1-4-15-10(2)13-9-11-7-5-6-8-12(11)14(13)3/h5-9H,2,4H2,1,3H3
InChIKeyVCCVAGUYEIDPNI-UHFFFAOYSA-N
XLogP3.19
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

methyl 1-methylindole-2-carboperoxoate
CID 140791750
ethyl (1-methylindol-2-yl) carbonate
CID 67809061
ethyl 1-prop-2-enylindole-2-carboxylate
CID 10398929
2-(ethylsulfonylmethyl)-1-methylindole
CID 117173182
phenyl 1-methylindole-2-carboxylate
CID 47299897
ethyl 1-(benzenesulfonyl)indole-2-carboxylate
CID 506886
N-methanehydrazonoyl-1-methylindole-2-carboxamide
CID 137240676
ethyl 1-(difluoromethyl)indole-2-carboxylate
CID 56618852
methyl 2-[(1-methylindole-2-carbonyl)amino]propanoate
CID 56737895
2-[methyl-(1-methylindole-2-carbonyl)amino]acetic acid
CID 110834916
N-(2-ethyl-6-methylphenyl)-1-methylindole-2-carboxamide
CID 113207081
N-ethyl-1-methyl-N-(3-methylphenyl)indole-2-carboxamide
CID 113207113

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxyethenyl)-1-methylindole?
The IUPAC name of 2-(1-ethoxyethenyl)-1-methylindole (CID 143529432) is 2-(1-ethoxyethenyl)-1-methylindole.
What is the SMILES notation for 2-(1-ethoxyethenyl)-1-methylindole?
The canonical SMILES for 2-(1-ethoxyethenyl)-1-methylindole is C=C(OCC)c1cc2ccccc2n1C.
What is the InChIKey of 2-(1-ethoxyethenyl)-1-methylindole?
The InChIKey is VCCVAGUYEIDPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-4-15-10(2)13-9-11-7-5-6-8-12(11)14(13)3/h5-9H,2,4H2,1,3H3.
What are the key properties of 2-(1-ethoxyethenyl)-1-methylindole?
2-(1-ethoxyethenyl)-1-methylindole has a molecular weight of 201.27 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyethenyl)-1-methylindole is sourced from PubChem (CID 143529432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).