5-methoxy-3-propan-2-ylideneindole

C12H13NO — CID 130387871

IUPAC5-methoxy-3-propan-2-ylideneindole
SMILESCOc1ccc2c(c1)C(=C(C)C)C=N2
InChIInChI=1S/C12H13NO/c1-8(2)11-7-13-12-5-4-9(14-3)6-10(11)12/h4-7H,1-3H3
InChIKeyWIQCNEHMNJNYBW-UHFFFAOYSA-N
MW187.24 g/mol
LogP3.20
Rot. Bonds1

About 5-methoxy-3-propan-2-ylideneindole

5-methoxy-3-propan-2-ylideneindole (PubChem CID 130387871) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 5-methoxy-3-propan-2-ylideneindole.

Molecular Properties

Compound Name5-methoxy-3-propan-2-ylideneindole
PubChem CID130387871
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name5-methoxy-3-propan-2-ylideneindole
SMILESCOc1ccc2c(c1)C(=C(C)C)C=N2
InChIInChI=1S/C12H13NO/c1-8(2)11-7-13-12-5-4-9(14-3)6-10(11)12/h4-7H,1-3H3
InChIKeyWIQCNEHMNJNYBW-UHFFFAOYSA-N
XLogP3.20
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-propan-2-ylideneindole?
The IUPAC name of 5-methoxy-3-propan-2-ylideneindole (CID 130387871) is 5-methoxy-3-propan-2-ylideneindole.
What is the SMILES notation for 5-methoxy-3-propan-2-ylideneindole?
The canonical SMILES for 5-methoxy-3-propan-2-ylideneindole is COc1ccc2c(c1)C(=C(C)C)C=N2.
What is the InChIKey of 5-methoxy-3-propan-2-ylideneindole?
The InChIKey is WIQCNEHMNJNYBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-8(2)11-7-13-12-5-4-9(14-3)6-10(11)12/h4-7H,1-3H3.
What are the key properties of 5-methoxy-3-propan-2-ylideneindole?
5-methoxy-3-propan-2-ylideneindole has a molecular weight of 187.24 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-propan-2-ylideneindole is sourced from PubChem (CID 130387871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).