7-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2,3-dimethyl-1H-indole

C17H24N2O — CID 156608116

IUPAC7-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2,3-dimethyl-1H-indole
SMILESCOCC1CCCN1Cc1cccc2c(C)c(C)[nH]c12
InChIInChI=1S/C17H24N2O/c1-12-13(2)18-17-14(6-4-8-16(12)17)10-19-9-5-7-15(19)11-20-3/h4,6,8,15,18H,5,7,9-11H2,1-3H3
InChIKeyVVVOXHSAIPMCKQ-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.40
Rot. Bonds4

About 7-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2,3-dimethyl-1H-indole

7-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2,3-dimethyl-1H-indole (PubChem CID 156608116) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 7-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2,3-dimethyl-1H-indole.

Molecular Properties

Compound Name7-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2,3-dimethyl-1H-indole
PubChem CID156608116
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name7-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2,3-dimethyl-1H-indole
SMILESCOCC1CCCN1Cc1cccc2c(C)c(C)[nH]c12
InChIInChI=1S/C17H24N2O/c1-12-13(2)18-17-14(6-4-8-16(12)17)10-19-9-5-7-15(19)11-20-3/h4,6,8,15,18H,5,7,9-11H2,1-3H3
InChIKeyVVVOXHSAIPMCKQ-UHFFFAOYSA-N
XLogP3.40
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2,3-dimethyl-1H-indole?
The IUPAC name of 7-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2,3-dimethyl-1H-indole (CID 156608116) is 7-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2,3-dimethyl-1H-indole.
What is the SMILES notation for 7-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2,3-dimethyl-1H-indole?
The canonical SMILES for 7-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2,3-dimethyl-1H-indole is COCC1CCCN1Cc1cccc2c(C)c(C)[nH]c12.
What is the InChIKey of 7-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2,3-dimethyl-1H-indole?
The InChIKey is VVVOXHSAIPMCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12-13(2)18-17-14(6-4-8-16(12)17)10-19-9-5-7-15(19)11-20-3/h4,6,8,15,18H,5,7,9-11H2,1-3H3.
What are the key properties of 7-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2,3-dimethyl-1H-indole?
7-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2,3-dimethyl-1H-indole has a molecular weight of 272.39 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-2,3-dimethyl-1H-indole is sourced from PubChem (CID 156608116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).