1-ethyl-3,3-dimethyl-2-methylideneindole

C13H17N — CID 12524872

IUPAC1-ethyl-3,3-dimethyl-2-methylideneindole
SMILESC=C1N(CC)c2ccccc2C1(C)C
InChIInChI=1S/C13H17N/c1-5-14-10(2)13(3,4)11-8-6-7-9-12(11)14/h6-9H,2,5H2,1,3-4H3
InChIKeyMWYTVFRHPLPLKF-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.32
Rot. Bonds1

About 1-ethyl-3,3-dimethyl-2-methylideneindole

1-ethyl-3,3-dimethyl-2-methylideneindole (PubChem CID 12524872) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 1-ethyl-3,3-dimethyl-2-methylideneindole.

Molecular Properties

Compound Name1-ethyl-3,3-dimethyl-2-methylideneindole
PubChem CID12524872
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name1-ethyl-3,3-dimethyl-2-methylideneindole
SMILESC=C1N(CC)c2ccccc2C1(C)C
InChIInChI=1S/C13H17N/c1-5-14-10(2)13(3,4)11-8-6-7-9-12(11)14/h6-9H,2,5H2,1,3-4H3
InChIKeyMWYTVFRHPLPLKF-UHFFFAOYSA-N
XLogP3.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-ethyl-3,3-dimethyl-2-methylideneindole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
1,3,3-Trimethyl-2-methyleneindoline
CID 8351
N,N,2-Trimethylaniline
CID 11869
2-Methylindoline
CID 23305
3H-Indolium, 1,2,3,3-tetramethyl-, iodide (1:1)
CID 79454
1,1'-Diethyl-3,3,3',3'-tetramethylindocarbocyanine Iodide
CID 16212367
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
1,3-Dihydro-1-methyl-2H-indole-2-thione
CID 26156
2,3-dimethyl-2,3-dihydro-1H-indole
CID 30944

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,3-dimethyl-2-methylideneindole?
The IUPAC name of 1-ethyl-3,3-dimethyl-2-methylideneindole (CID 12524872) is 1-ethyl-3,3-dimethyl-2-methylideneindole.
What is the SMILES notation for 1-ethyl-3,3-dimethyl-2-methylideneindole?
The canonical SMILES for 1-ethyl-3,3-dimethyl-2-methylideneindole is C=C1N(CC)c2ccccc2C1(C)C.
What is the InChIKey of 1-ethyl-3,3-dimethyl-2-methylideneindole?
The InChIKey is MWYTVFRHPLPLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-5-14-10(2)13(3,4)11-8-6-7-9-12(11)14/h6-9H,2,5H2,1,3-4H3.
What are the key properties of 1-ethyl-3,3-dimethyl-2-methylideneindole?
1-ethyl-3,3-dimethyl-2-methylideneindole has a molecular weight of 187.29 g/mol, XLogP of 3.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,3-dimethyl-2-methylideneindole is sourced from PubChem (CID 12524872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).