1,3,3-trimethyl-2-methylideneindole

C12H15N — CID 8351

IUPAC1,3,3-trimethyl-2-methylideneindole
SMILESC=C1N(C)c2ccccc2C1(C)C
InChIInChI=1S/C12H15N/c1-9-12(2,3)10-7-5-6-8-11(10)13(9)4/h5-8H,1H2,2-4H3
InChIKeyZTUKGBOUHWYFGC-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.93
Rot. Bonds

About 1,3,3-trimethyl-2-methylideneindole

1,3,3-trimethyl-2-methylideneindole (PubChem CID 8351) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 1,3,3-trimethyl-2-methylideneindole.

Molecular Properties

Compound Name1,3,3-trimethyl-2-methylideneindole
PubChem CID8351
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name1,3,3-trimethyl-2-methylideneindole
SMILESC=C1N(C)c2ccccc2C1(C)C
InChIInChI=1S/C12H15N/c1-9-12(2,3)10-7-5-6-8-11(10)13(9)4/h5-8H,1H2,2-4H3
InChIKeyZTUKGBOUHWYFGC-UHFFFAOYSA-N
XLogP2.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Indoline
CID 10328
2-(Formylmethylene)-1,3,3-trimethylindoline
CID 1712851
1-(2,3-Dihydro-1H-indol-1-yl)ethan-1-one
CID 27673
N,N,2-Trimethylaniline
CID 11869
2-Methylindoline
CID 23305
3H-Indolium, 1,2,3,3-tetramethyl-, iodide (1:1)
CID 79454
2-[3-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)prop-1-enyl]-1,3,3-trimethyl-3H-indolium chloride
CID 6540442
Benzenamine, N,N-diethyl-2-methyl-
CID 69075
2,3-dimethyl-2,3-dihydro-1H-indole
CID 30944
1-Methyl-2,3-dihydro-1H-indole
CID 55830
Astraphloxin
CID 5705411
5-Chloro-1,3,3-trimethyl-2-methyleneindoline
CID 81308

Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-2-methylideneindole?
The IUPAC name of 1,3,3-trimethyl-2-methylideneindole (CID 8351) is 1,3,3-trimethyl-2-methylideneindole.
What is the SMILES notation for 1,3,3-trimethyl-2-methylideneindole?
The canonical SMILES for 1,3,3-trimethyl-2-methylideneindole is C=C1N(C)c2ccccc2C1(C)C.
What is the InChIKey of 1,3,3-trimethyl-2-methylideneindole?
The InChIKey is ZTUKGBOUHWYFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-9-12(2,3)10-7-5-6-8-11(10)13(9)4/h5-8H,1H2,2-4H3.
What are the key properties of 1,3,3-trimethyl-2-methylideneindole?
1,3,3-trimethyl-2-methylideneindole has a molecular weight of 173.26 g/mol, XLogP of 2.93, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-2-methylideneindole is sourced from PubChem (CID 8351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).