6,6-dimethyl-1-[(1-methylpyrrolidin-2-yl)methyl]-5,7-dihydro-4H-indol-4-ol

C16H26N2O — CID 106020970

IUPAC6,6-dimethyl-1-[(1-methylpyrrolidin-2-yl)methyl]-5,7-dihydro-4H-indol-4-ol
SMILESCN1CCCC1Cn1ccc2c1CC(C)(C)CC2O
InChIInChI=1S/C16H26N2O/c1-16(2)9-14-13(15(19)10-16)6-8-18(14)11-12-5-4-7-17(12)3/h6,8,12,15,19H,4-5,7,9-11H2,1-3H3
InChIKeyJAZJIZXFLZSQSW-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.59
Rot. Bonds2

About 6,6-dimethyl-1-[(1-methylpyrrolidin-2-yl)methyl]-5,7-dihydro-4H-indol-4-ol

6,6-dimethyl-1-[(1-methylpyrrolidin-2-yl)methyl]-5,7-dihydro-4H-indol-4-ol (PubChem CID 106020970) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 6,6-dimethyl-1-[(1-methylpyrrolidin-2-yl)methyl]-5,7-dihydro-4H-indol-4-ol.

Molecular Properties

Compound Name6,6-dimethyl-1-[(1-methylpyrrolidin-2-yl)methyl]-5,7-dihydro-4H-indol-4-ol
PubChem CID106020970
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name6,6-dimethyl-1-[(1-methylpyrrolidin-2-yl)methyl]-5,7-dihydro-4H-indol-4-ol
SMILESCN1CCCC1Cn1ccc2c1CC(C)(C)CC2O
InChIInChI=1S/C16H26N2O/c1-16(2)9-14-13(15(19)10-16)6-8-18(14)11-12-5-4-7-17(12)3/h6,8,12,15,19H,4-5,7,9-11H2,1-3H3
InChIKeyJAZJIZXFLZSQSW-UHFFFAOYSA-N
XLogP2.59
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-[(1-methylpyrrolidin-2-yl)methyl]-5,7-dihydro-4H-indol-4-ol?
The IUPAC name of 6,6-dimethyl-1-[(1-methylpyrrolidin-2-yl)methyl]-5,7-dihydro-4H-indol-4-ol (CID 106020970) is 6,6-dimethyl-1-[(1-methylpyrrolidin-2-yl)methyl]-5,7-dihydro-4H-indol-4-ol.
What is the SMILES notation for 6,6-dimethyl-1-[(1-methylpyrrolidin-2-yl)methyl]-5,7-dihydro-4H-indol-4-ol?
The canonical SMILES for 6,6-dimethyl-1-[(1-methylpyrrolidin-2-yl)methyl]-5,7-dihydro-4H-indol-4-ol is CN1CCCC1Cn1ccc2c1CC(C)(C)CC2O.
What is the InChIKey of 6,6-dimethyl-1-[(1-methylpyrrolidin-2-yl)methyl]-5,7-dihydro-4H-indol-4-ol?
The InChIKey is JAZJIZXFLZSQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-16(2)9-14-13(15(19)10-16)6-8-18(14)11-12-5-4-7-17(12)3/h6,8,12,15,19H,4-5,7,9-11H2,1-3H3.
What are the key properties of 6,6-dimethyl-1-[(1-methylpyrrolidin-2-yl)methyl]-5,7-dihydro-4H-indol-4-ol?
6,6-dimethyl-1-[(1-methylpyrrolidin-2-yl)methyl]-5,7-dihydro-4H-indol-4-ol has a molecular weight of 262.40 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-[(1-methylpyrrolidin-2-yl)methyl]-5,7-dihydro-4H-indol-4-ol is sourced from PubChem (CID 106020970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).