3-ethylidene-4-methoxy-1,2-dihydroindole

C11H13NO — CID 131845895

IUPAC3-ethylidene-4-methoxy-1,2-dihydroindole
SMILESCC=C1CNc2cccc(OC)c21
InChIInChI=1S/C11H13NO/c1-3-8-7-12-9-5-4-6-10(13-2)11(8)9/h3-6,12H,7H2,1-2H3
InChIKeyAXUQRDWLJDVMBK-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.52
Rot. Bonds1

About 3-ethylidene-4-methoxy-1,2-dihydroindole

3-ethylidene-4-methoxy-1,2-dihydroindole (PubChem CID 131845895) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 3-ethylidene-4-methoxy-1,2-dihydroindole.

Molecular Properties

Compound Name3-ethylidene-4-methoxy-1,2-dihydroindole
PubChem CID131845895
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name3-ethylidene-4-methoxy-1,2-dihydroindole
SMILESCC=C1CNc2cccc(OC)c21
InChIInChI=1S/C11H13NO/c1-3-8-7-12-9-5-4-6-10(13-2)11(8)9/h3-6,12H,7H2,1-2H3
InChIKeyAXUQRDWLJDVMBK-UHFFFAOYSA-N
XLogP2.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3E)-3-ethylidene-1,2-dihydroindol-4-ol
CID 131423207
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CID 141023705
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CID 14905238
4-methoxyspiro[1,2-dihydroindole-3,1'-cyclopropane]
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6-methoxyspiro[1,2,4,5-tetrahydro-1,5-benzodiazepine-3,1'-cyclohexane]
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6-methoxyspiro[4,5-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopropane]-2-one
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CID 84620698

Frequently Asked Questions

What is the IUPAC name of 3-ethylidene-4-methoxy-1,2-dihydroindole?
The IUPAC name of 3-ethylidene-4-methoxy-1,2-dihydroindole (CID 131845895) is 3-ethylidene-4-methoxy-1,2-dihydroindole.
What is the SMILES notation for 3-ethylidene-4-methoxy-1,2-dihydroindole?
The canonical SMILES for 3-ethylidene-4-methoxy-1,2-dihydroindole is CC=C1CNc2cccc(OC)c21.
What is the InChIKey of 3-ethylidene-4-methoxy-1,2-dihydroindole?
The InChIKey is AXUQRDWLJDVMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-3-8-7-12-9-5-4-6-10(13-2)11(8)9/h3-6,12H,7H2,1-2H3.
What are the key properties of 3-ethylidene-4-methoxy-1,2-dihydroindole?
3-ethylidene-4-methoxy-1,2-dihydroindole has a molecular weight of 175.23 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylidene-4-methoxy-1,2-dihydroindole is sourced from PubChem (CID 131845895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).