2,5,6-trimethyl-7-methylideneindol-4-ol

C12H13NO — CID 137316294

IUPAC2,5,6-trimethyl-7-methylideneindol-4-ol
SMILESC=c1c(C)c(C)c(O)c2c1=NC(C)=C2
InChIInChI=1S/C12H13NO/c1-6-5-10-11(13-6)8(3)7(2)9(4)12(10)14/h5,14H,3H2,1-2,4H3
InChIKeyRWZVGIMXNIZFAO-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.41
Rot. Bonds

About 2,5,6-trimethyl-7-methylideneindol-4-ol

2,5,6-trimethyl-7-methylideneindol-4-ol (PubChem CID 137316294) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 2,5,6-trimethyl-7-methylideneindol-4-ol.

Molecular Properties

Compound Name2,5,6-trimethyl-7-methylideneindol-4-ol
PubChem CID137316294
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name2,5,6-trimethyl-7-methylideneindol-4-ol
SMILESC=c1c(C)c(C)c(O)c2c1=NC(C)=C2
InChIInChI=1S/C12H13NO/c1-6-5-10-11(13-6)8(3)7(2)9(4)12(10)14/h5,14H,3H2,1-2,4H3
InChIKeyRWZVGIMXNIZFAO-UHFFFAOYSA-N
XLogP1.41
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5,6-trimethyl-7-methylideneindol-4-ol?
The IUPAC name of 2,5,6-trimethyl-7-methylideneindol-4-ol (CID 137316294) is 2,5,6-trimethyl-7-methylideneindol-4-ol.
What is the SMILES notation for 2,5,6-trimethyl-7-methylideneindol-4-ol?
The canonical SMILES for 2,5,6-trimethyl-7-methylideneindol-4-ol is C=c1c(C)c(C)c(O)c2c1=NC(C)=C2.
What is the InChIKey of 2,5,6-trimethyl-7-methylideneindol-4-ol?
The InChIKey is RWZVGIMXNIZFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-6-5-10-11(13-6)8(3)7(2)9(4)12(10)14/h5,14H,3H2,1-2,4H3.
What are the key properties of 2,5,6-trimethyl-7-methylideneindol-4-ol?
2,5,6-trimethyl-7-methylideneindol-4-ol has a molecular weight of 187.24 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,6-trimethyl-7-methylideneindol-4-ol is sourced from PubChem (CID 137316294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).