1-[2-(1,3-dioxolan-2-yl)ethyl]-3-methyl-2-methylidene-3H-indole

C15H19NO2 — CID 142535309

IUPAC1-[2-(1,3-dioxolan-2-yl)ethyl]-3-methyl-2-methylidene-3H-indole
SMILESC=C1C(C)c2ccccc2N1CCC1OCCO1
InChIInChI=1S/C15H19NO2/c1-11-12(2)16(8-7-15-17-9-10-18-15)14-6-4-3-5-13(11)14/h3-6,11,15H,2,7-10H2,1H3
InChIKeyFNPBIBZKADQPTH-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.89
Rot. Bonds3

About 1-[2-(1,3-dioxolan-2-yl)ethyl]-3-methyl-2-methylidene-3H-indole

1-[2-(1,3-dioxolan-2-yl)ethyl]-3-methyl-2-methylidene-3H-indole (PubChem CID 142535309) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-[2-(1,3-dioxolan-2-yl)ethyl]-3-methyl-2-methylidene-3H-indole.

Molecular Properties

Compound Name1-[2-(1,3-dioxolan-2-yl)ethyl]-3-methyl-2-methylidene-3H-indole
PubChem CID142535309
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-[2-(1,3-dioxolan-2-yl)ethyl]-3-methyl-2-methylidene-3H-indole
SMILESC=C1C(C)c2ccccc2N1CCC1OCCO1
InChIInChI=1S/C15H19NO2/c1-11-12(2)16(8-7-15-17-9-10-18-15)14-6-4-3-5-13(11)14/h3-6,11,15H,2,7-10H2,1H3
InChIKeyFNPBIBZKADQPTH-UHFFFAOYSA-N
XLogP2.89
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-dioxolan-2-yl)ethyl]-3-methyl-2-methylidene-3H-indole?
The IUPAC name of 1-[2-(1,3-dioxolan-2-yl)ethyl]-3-methyl-2-methylidene-3H-indole (CID 142535309) is 1-[2-(1,3-dioxolan-2-yl)ethyl]-3-methyl-2-methylidene-3H-indole.
What is the SMILES notation for 1-[2-(1,3-dioxolan-2-yl)ethyl]-3-methyl-2-methylidene-3H-indole?
The canonical SMILES for 1-[2-(1,3-dioxolan-2-yl)ethyl]-3-methyl-2-methylidene-3H-indole is C=C1C(C)c2ccccc2N1CCC1OCCO1.
What is the InChIKey of 1-[2-(1,3-dioxolan-2-yl)ethyl]-3-methyl-2-methylidene-3H-indole?
The InChIKey is FNPBIBZKADQPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-11-12(2)16(8-7-15-17-9-10-18-15)14-6-4-3-5-13(11)14/h3-6,11,15H,2,7-10H2,1H3.
What are the key properties of 1-[2-(1,3-dioxolan-2-yl)ethyl]-3-methyl-2-methylidene-3H-indole?
1-[2-(1,3-dioxolan-2-yl)ethyl]-3-methyl-2-methylidene-3H-indole has a molecular weight of 245.32 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-dioxolan-2-yl)ethyl]-3-methyl-2-methylidene-3H-indole is sourced from PubChem (CID 142535309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).