2,3-dimethyl-5-(2-methylpyrrolidin-2-yl)-1H-indol-4-ol

C15H20N2O — CID 117363190

IUPAC2,3-dimethyl-5-(2-methylpyrrolidin-2-yl)-1H-indol-4-ol
SMILESCc1[nH]c2ccc(C3(C)CCCN3)c(O)c2c1C
InChIInChI=1S/C15H20N2O/c1-9-10(2)17-12-6-5-11(14(18)13(9)12)15(3)7-4-8-16-15/h5-6,16-18H,4,7-8H2,1-3H3
InChIKeyQNRYEEFNXZGQQP-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.09
Rot. Bonds1

About 2,3-dimethyl-5-(2-methylpyrrolidin-2-yl)-1H-indol-4-ol

2,3-dimethyl-5-(2-methylpyrrolidin-2-yl)-1H-indol-4-ol (PubChem CID 117363190) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2,3-dimethyl-5-(2-methylpyrrolidin-2-yl)-1H-indol-4-ol.

Molecular Properties

Compound Name2,3-dimethyl-5-(2-methylpyrrolidin-2-yl)-1H-indol-4-ol
PubChem CID117363190
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2,3-dimethyl-5-(2-methylpyrrolidin-2-yl)-1H-indol-4-ol
SMILESCc1[nH]c2ccc(C3(C)CCCN3)c(O)c2c1C
InChIInChI=1S/C15H20N2O/c1-9-10(2)17-12-6-5-11(14(18)13(9)12)15(3)7-4-8-16-15/h5-6,16-18H,4,7-8H2,1-3H3
InChIKeyQNRYEEFNXZGQQP-UHFFFAOYSA-N
XLogP3.09
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-(2-methylpyrrolidin-2-yl)-1H-indol-4-ol?
The IUPAC name of 2,3-dimethyl-5-(2-methylpyrrolidin-2-yl)-1H-indol-4-ol (CID 117363190) is 2,3-dimethyl-5-(2-methylpyrrolidin-2-yl)-1H-indol-4-ol.
What is the SMILES notation for 2,3-dimethyl-5-(2-methylpyrrolidin-2-yl)-1H-indol-4-ol?
The canonical SMILES for 2,3-dimethyl-5-(2-methylpyrrolidin-2-yl)-1H-indol-4-ol is Cc1[nH]c2ccc(C3(C)CCCN3)c(O)c2c1C.
What is the InChIKey of 2,3-dimethyl-5-(2-methylpyrrolidin-2-yl)-1H-indol-4-ol?
The InChIKey is QNRYEEFNXZGQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-9-10(2)17-12-6-5-11(14(18)13(9)12)15(3)7-4-8-16-15/h5-6,16-18H,4,7-8H2,1-3H3.
What are the key properties of 2,3-dimethyl-5-(2-methylpyrrolidin-2-yl)-1H-indol-4-ol?
2,3-dimethyl-5-(2-methylpyrrolidin-2-yl)-1H-indol-4-ol has a molecular weight of 244.34 g/mol, XLogP of 3.09, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-(2-methylpyrrolidin-2-yl)-1H-indol-4-ol is sourced from PubChem (CID 117363190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).