2-[(E)-2-(1,3-dioxolan-2-yl)ethenyl]-1-methylindole

C14H15NO2 — CID 14358702

IUPAC2-[(E)-2-(1,3-dioxolan-2-yl)ethenyl]-1-methylindole
SMILESCn1c(/C=C/C2OCCO2)cc2ccccc21
InChIInChI=1S/C14H15NO2/c1-15-12(6-7-14-16-8-9-17-14)10-11-4-2-3-5-13(11)15/h2-7,10,14H,8-9H2,1H3/b7-6+
InChIKeySCXGZESTVAYBLL-VOTSOKGWSA-N
MW229.28 g/mol
LogP2.56
Rot. Bonds2

About 2-[(E)-2-(1,3-dioxolan-2-yl)ethenyl]-1-methylindole

2-[(E)-2-(1,3-dioxolan-2-yl)ethenyl]-1-methylindole (PubChem CID 14358702) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[(E)-2-(1,3-dioxolan-2-yl)ethenyl]-1-methylindole.

Molecular Properties

Compound Name2-[(E)-2-(1,3-dioxolan-2-yl)ethenyl]-1-methylindole
PubChem CID14358702
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name2-[(E)-2-(1,3-dioxolan-2-yl)ethenyl]-1-methylindole
SMILESCn1c(/C=C/C2OCCO2)cc2ccccc21
InChIInChI=1S/C14H15NO2/c1-15-12(6-7-14-16-8-9-17-14)10-11-4-2-3-5-13(11)15/h2-7,10,14H,8-9H2,1H3/b7-6+
InChIKeySCXGZESTVAYBLL-VOTSOKGWSA-N
XLogP2.56
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(E)-2-(1,3-dioxolan-2-yl)ethenyl]-1-methylindole 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

2-[(1Z)-buta-1,3-dienyl]-1-methylindole
CID 142244714
(E)-3-(1-methylindol-2-yl)prop-2-enal
CID 146445442
3-bromo-2-[2-(1-methylindol-2-yl)ethenyl]phenol
CID 86191765
3-(1-methylindol-2-yl)-1-phenylprop-2-en-1-one
CID 118108345
2-[(1-methylindol-2-yl)methylidene]propanedioic acid
CID 170895345
N-methyl-1-(1-methylindol-2-yl)methanimine oxide
CID 10702776
4-fluoro-2-[(E)-2-(1-methylindol-2-yl)ethenyl]phenol
CID 19689621
CID 175336040
CID 175336040
(E)-1-(1-benzothiophen-2-yl)-3-(1-methylindol-2-yl)prop-2-en-1-one
CID 21040462
2,6-dichloro-N-[(E)-(1-methylindol-2-yl)methylideneamino]aniline
CID 154926282
N-[3-hydroxy-2-[2-(1-methylindol-2-yl)ethenyl]phenyl]-2,2-dimethylpropanamide
CID 139775325
2-ethynyl-1-methylindole
CID 12839097

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(1,3-dioxolan-2-yl)ethenyl]-1-methylindole?
The IUPAC name of 2-[(E)-2-(1,3-dioxolan-2-yl)ethenyl]-1-methylindole (CID 14358702) is 2-[(E)-2-(1,3-dioxolan-2-yl)ethenyl]-1-methylindole.
What is the SMILES notation for 2-[(E)-2-(1,3-dioxolan-2-yl)ethenyl]-1-methylindole?
The canonical SMILES for 2-[(E)-2-(1,3-dioxolan-2-yl)ethenyl]-1-methylindole is Cn1c(/C=C/C2OCCO2)cc2ccccc21.
What is the InChIKey of 2-[(E)-2-(1,3-dioxolan-2-yl)ethenyl]-1-methylindole?
The InChIKey is SCXGZESTVAYBLL-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H15NO2/c1-15-12(6-7-14-16-8-9-17-14)10-11-4-2-3-5-13(11)15/h2-7,10,14H,8-9H2,1H3/b7-6+.
What are the key properties of 2-[(E)-2-(1,3-dioxolan-2-yl)ethenyl]-1-methylindole?
2-[(E)-2-(1,3-dioxolan-2-yl)ethenyl]-1-methylindole has a molecular weight of 229.28 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(1,3-dioxolan-2-yl)ethenyl]-1-methylindole is sourced from PubChem (CID 14358702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).