5-(2-methylprop-2-enoxy)-1H-indole

C12H13NO — CID 80641089

IUPAC5-(2-methylprop-2-enoxy)-1H-indole
SMILESC=C(C)COc1ccc2[nH]ccc2c1
InChIInChI=1S/C12H13NO/c1-9(2)8-14-11-3-4-12-10(7-11)5-6-13-12/h3-7,13H,1,8H2,2H3
InChIKeyQKWAUYPENOGLHU-UHFFFAOYSA-N
MW187.24 g/mol
LogP3.12
Rot. Bonds3

About 5-(2-methylprop-2-enoxy)-1H-indole

5-(2-methylprop-2-enoxy)-1H-indole (PubChem CID 80641089) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 5-(2-methylprop-2-enoxy)-1H-indole.

Molecular Properties

Compound Name5-(2-methylprop-2-enoxy)-1H-indole
PubChem CID80641089
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name5-(2-methylprop-2-enoxy)-1H-indole
SMILESC=C(C)COc1ccc2[nH]ccc2c1
InChIInChI=1S/C12H13NO/c1-9(2)8-14-11-3-4-12-10(7-11)5-6-13-12/h3-7,13H,1,8H2,2H3
InChIKeyQKWAUYPENOGLHU-UHFFFAOYSA-N
XLogP3.12
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-heptoxy-1H-indole
CID 80642434
4-(1H-indol-5-yloxymethyl)phenol
CID 80641928
5-[2-(4-bromophenoxy)ethoxy]-1H-indole
CID 80640825
5-(2-ethylsulfanylethoxy)-1H-indole
CID 115967778
[6-(2-methylprop-2-enoxy)naphthalen-2-yl] 2-methylprop-2-enoate
CID 123278935
5-propan-2-yloxy-1H-indole
CID 16738054
5-(4-methoxyphenoxy)-1H-indole
CID 19042832
5-methylsulfanyloxy-1H-indole
CID 139836435
5-[(2,5-dimethylphenyl)methoxy]-1H-indole
CID 80642432
5-(2-pyridin-4-ylethoxy)-1H-indole
CID 80643578
5-(thiophen-2-ylmethoxy)-1H-indole
CID 18797477
1H-indol-5-yl pentanoate
CID 174735386

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylprop-2-enoxy)-1H-indole?
The IUPAC name of 5-(2-methylprop-2-enoxy)-1H-indole (CID 80641089) is 5-(2-methylprop-2-enoxy)-1H-indole.
What is the SMILES notation for 5-(2-methylprop-2-enoxy)-1H-indole?
The canonical SMILES for 5-(2-methylprop-2-enoxy)-1H-indole is C=C(C)COc1ccc2[nH]ccc2c1.
What is the InChIKey of 5-(2-methylprop-2-enoxy)-1H-indole?
The InChIKey is QKWAUYPENOGLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-9(2)8-14-11-3-4-12-10(7-11)5-6-13-12/h3-7,13H,1,8H2,2H3.
What are the key properties of 5-(2-methylprop-2-enoxy)-1H-indole?
5-(2-methylprop-2-enoxy)-1H-indole has a molecular weight of 187.24 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylprop-2-enoxy)-1H-indole is sourced from PubChem (CID 80641089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).