7-methyl-7-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5,6-dihydro-[1,3]dioxolo[4,5-f]indole

C16H22N2O2 — CID 166138447

IUPAC7-methyl-7-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5,6-dihydro-[1,3]dioxolo[4,5-f]indole
SMILESCN1CCC[C@@H]1CC1(C)CNc2cc3c(cc21)OCO3
InChIInChI=1S/C16H22N2O2/c1-16(8-11-4-3-5-18(11)2)9-17-13-7-15-14(6-12(13)16)19-10-20-15/h6-7,11,17H,3-5,8-10H2,1-2H3/t11-,16?/m1/s1
InChIKeyFAFYKPLPJHZKIU-ZVDHGWRTSA-N
MW274.36 g/mol
LogP2.58
Rot. Bonds2

About 7-methyl-7-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5,6-dihydro-[1,3]dioxolo[4,5-f]indole

7-methyl-7-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5,6-dihydro-[1,3]dioxolo[4,5-f]indole (PubChem CID 166138447) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 7-methyl-7-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5,6-dihydro-[1,3]dioxolo[4,5-f]indole.

Molecular Properties

Compound Name7-methyl-7-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5,6-dihydro-[1,3]dioxolo[4,5-f]indole
PubChem CID166138447
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name7-methyl-7-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5,6-dihydro-[1,3]dioxolo[4,5-f]indole
SMILESCN1CCC[C@@H]1CC1(C)CNc2cc3c(cc21)OCO3
InChIInChI=1S/C16H22N2O2/c1-16(8-11-4-3-5-18(11)2)9-17-13-7-15-14(6-12(13)16)19-10-20-15/h6-7,11,17H,3-5,8-10H2,1-2H3/t11-,16?/m1/s1
InChIKeyFAFYKPLPJHZKIU-ZVDHGWRTSA-N
XLogP2.58
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 7-methyl-7-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5,6-dihydro-[1,3]dioxolo[4,5-f]indole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-methyl-7-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5,6-dihydro-[1,3]dioxolo[4,5-f]indole?
The IUPAC name of 7-methyl-7-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5,6-dihydro-[1,3]dioxolo[4,5-f]indole (CID 166138447) is 7-methyl-7-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5,6-dihydro-[1,3]dioxolo[4,5-f]indole.
What is the SMILES notation for 7-methyl-7-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5,6-dihydro-[1,3]dioxolo[4,5-f]indole?
The canonical SMILES for 7-methyl-7-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5,6-dihydro-[1,3]dioxolo[4,5-f]indole is CN1CCC[C@@H]1CC1(C)CNc2cc3c(cc21)OCO3.
What is the InChIKey of 7-methyl-7-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5,6-dihydro-[1,3]dioxolo[4,5-f]indole?
The InChIKey is FAFYKPLPJHZKIU-ZVDHGWRTSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-16(8-11-4-3-5-18(11)2)9-17-13-7-15-14(6-12(13)16)19-10-20-15/h6-7,11,17H,3-5,8-10H2,1-2H3/t11-,16?/m1/s1.
What are the key properties of 7-methyl-7-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5,6-dihydro-[1,3]dioxolo[4,5-f]indole?
7-methyl-7-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5,6-dihydro-[1,3]dioxolo[4,5-f]indole has a molecular weight of 274.36 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-7-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-5,6-dihydro-[1,3]dioxolo[4,5-f]indole is sourced from PubChem (CID 166138447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).