1-(3-tert-butyl-3-hydroxy-2-methylideneindol-1-yl)ethanone

C15H19NO2 — CID 10332113

IUPAC1-(3-tert-butyl-3-hydroxy-2-methylideneindol-1-yl)ethanone
SMILESC=C1N(C(C)=O)c2ccccc2C1(O)C(C)(C)C
InChIInChI=1S/C15H19NO2/c1-10-15(18,14(3,4)5)12-8-6-7-9-13(12)16(10)11(2)17/h6-9,18H,1H2,2-5H3
InChIKeyPTVQTHOHJDDNLE-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.80
Rot. Bonds

About 1-(3-tert-butyl-3-hydroxy-2-methylideneindol-1-yl)ethanone

1-(3-tert-butyl-3-hydroxy-2-methylideneindol-1-yl)ethanone (PubChem CID 10332113) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-(3-tert-butyl-3-hydroxy-2-methylideneindol-1-yl)ethanone.

Molecular Properties

Compound Name1-(3-tert-butyl-3-hydroxy-2-methylideneindol-1-yl)ethanone
PubChem CID10332113
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-(3-tert-butyl-3-hydroxy-2-methylideneindol-1-yl)ethanone
SMILESC=C1N(C(C)=O)c2ccccc2C1(O)C(C)(C)C
InChIInChI=1S/C15H19NO2/c1-10-15(18,14(3,4)5)12-8-6-7-9-13(12)16(10)11(2)17/h6-9,18H,1H2,2-5H3
InChIKeyPTVQTHOHJDDNLE-UHFFFAOYSA-N
XLogP2.80
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-3-hydroxy-2-methylideneindol-1-yl)ethanone?
The IUPAC name of 1-(3-tert-butyl-3-hydroxy-2-methylideneindol-1-yl)ethanone (CID 10332113) is 1-(3-tert-butyl-3-hydroxy-2-methylideneindol-1-yl)ethanone.
What is the SMILES notation for 1-(3-tert-butyl-3-hydroxy-2-methylideneindol-1-yl)ethanone?
The canonical SMILES for 1-(3-tert-butyl-3-hydroxy-2-methylideneindol-1-yl)ethanone is C=C1N(C(C)=O)c2ccccc2C1(O)C(C)(C)C.
What is the InChIKey of 1-(3-tert-butyl-3-hydroxy-2-methylideneindol-1-yl)ethanone?
The InChIKey is PTVQTHOHJDDNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-10-15(18,14(3,4)5)12-8-6-7-9-13(12)16(10)11(2)17/h6-9,18H,1H2,2-5H3.
What are the key properties of 1-(3-tert-butyl-3-hydroxy-2-methylideneindol-1-yl)ethanone?
1-(3-tert-butyl-3-hydroxy-2-methylideneindol-1-yl)ethanone has a molecular weight of 245.32 g/mol, XLogP of 2.80, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-3-hydroxy-2-methylideneindol-1-yl)ethanone is sourced from PubChem (CID 10332113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).