(Z)-2-methyl-3-(2,2,3-trimethylindol-6-yl)but-2-en-1-imine

C16H20N2 — CID 90290077

IUPAC(Z)-2-methyl-3-(2,2,3-trimethylindol-6-yl)but-2-en-1-imine
SMILES[H]/N=C/C(C)=C(/C)c1ccc2c(c1)=NC(C)(C)C=2C
InChIInChI=1S/C16H20N2/c1-10(9-17)11(2)13-6-7-14-12(3)16(4,5)18-15(14)8-13/h6-9,17H,1-5H3/b11-10-,17-9+
InChIKeyVTYULXZUBWJLTN-WZPXUMEWSA-N
MW240.35 g/mol
LogP2.71
Rot. Bonds2

About (Z)-2-methyl-3-(2,2,3-trimethylindol-6-yl)but-2-en-1-imine

(Z)-2-methyl-3-(2,2,3-trimethylindol-6-yl)but-2-en-1-imine (PubChem CID 90290077) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (Z)-2-methyl-3-(2,2,3-trimethylindol-6-yl)but-2-en-1-imine.

Molecular Properties

Compound Name(Z)-2-methyl-3-(2,2,3-trimethylindol-6-yl)but-2-en-1-imine
PubChem CID90290077
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name(Z)-2-methyl-3-(2,2,3-trimethylindol-6-yl)but-2-en-1-imine
SMILES[H]/N=C/C(C)=C(/C)c1ccc2c(c1)=NC(C)(C)C=2C
InChIInChI=1S/C16H20N2/c1-10(9-17)11(2)13-6-7-14-12(3)16(4,5)18-15(14)8-13/h6-9,17H,1-5H3/b11-10-,17-9+
InChIKeyVTYULXZUBWJLTN-WZPXUMEWSA-N
XLogP2.71
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyl-3-(2,2,3-trimethylindol-6-yl)but-2-en-1-imine?
The IUPAC name of (Z)-2-methyl-3-(2,2,3-trimethylindol-6-yl)but-2-en-1-imine (CID 90290077) is (Z)-2-methyl-3-(2,2,3-trimethylindol-6-yl)but-2-en-1-imine.
What is the SMILES notation for (Z)-2-methyl-3-(2,2,3-trimethylindol-6-yl)but-2-en-1-imine?
The canonical SMILES for (Z)-2-methyl-3-(2,2,3-trimethylindol-6-yl)but-2-en-1-imine is [H]/N=C/C(C)=C(/C)c1ccc2c(c1)=NC(C)(C)C=2C.
What is the InChIKey of (Z)-2-methyl-3-(2,2,3-trimethylindol-6-yl)but-2-en-1-imine?
The InChIKey is VTYULXZUBWJLTN-WZPXUMEWSA-N. The full InChI is InChI=1S/C16H20N2/c1-10(9-17)11(2)13-6-7-14-12(3)16(4,5)18-15(14)8-13/h6-9,17H,1-5H3/b11-10-,17-9+.
What are the key properties of (Z)-2-methyl-3-(2,2,3-trimethylindol-6-yl)but-2-en-1-imine?
(Z)-2-methyl-3-(2,2,3-trimethylindol-6-yl)but-2-en-1-imine has a molecular weight of 240.35 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-3-(2,2,3-trimethylindol-6-yl)but-2-en-1-imine is sourced from PubChem (CID 90290077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).