3-(1-methoxy-2-methyl-1,3-dihydroinden-2-yl)-2-methylpropanenitrile

C15H19NO — CID 59542287

IUPAC3-(1-methoxy-2-methyl-1,3-dihydroinden-2-yl)-2-methylpropanenitrile
SMILESCOC1c2ccccc2CC1(C)CC(C)C#N
InChIInChI=1S/C15H19NO/c1-11(10-16)8-15(2)9-12-6-4-5-7-13(12)14(15)17-3/h4-7,11,14H,8-9H2,1-3H3
InChIKeyDUFFZQBNMHXZBS-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.49
Rot. Bonds3

About 3-(1-methoxy-2-methyl-1,3-dihydroinden-2-yl)-2-methylpropanenitrile

3-(1-methoxy-2-methyl-1,3-dihydroinden-2-yl)-2-methylpropanenitrile (PubChem CID 59542287) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 3-(1-methoxy-2-methyl-1,3-dihydroinden-2-yl)-2-methylpropanenitrile.

Molecular Properties

Compound Name3-(1-methoxy-2-methyl-1,3-dihydroinden-2-yl)-2-methylpropanenitrile
PubChem CID59542287
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name3-(1-methoxy-2-methyl-1,3-dihydroinden-2-yl)-2-methylpropanenitrile
SMILESCOC1c2ccccc2CC1(C)CC(C)C#N
InChIInChI=1S/C15H19NO/c1-11(10-16)8-15(2)9-12-6-4-5-7-13(12)14(15)17-3/h4-7,11,14H,8-9H2,1-3H3
InChIKeyDUFFZQBNMHXZBS-UHFFFAOYSA-N
XLogP3.49
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxy-2-methyl-1,3-dihydroinden-2-yl)-2-methylpropanenitrile?
The IUPAC name of 3-(1-methoxy-2-methyl-1,3-dihydroinden-2-yl)-2-methylpropanenitrile (CID 59542287) is 3-(1-methoxy-2-methyl-1,3-dihydroinden-2-yl)-2-methylpropanenitrile.
What is the SMILES notation for 3-(1-methoxy-2-methyl-1,3-dihydroinden-2-yl)-2-methylpropanenitrile?
The canonical SMILES for 3-(1-methoxy-2-methyl-1,3-dihydroinden-2-yl)-2-methylpropanenitrile is COC1c2ccccc2CC1(C)CC(C)C#N.
What is the InChIKey of 3-(1-methoxy-2-methyl-1,3-dihydroinden-2-yl)-2-methylpropanenitrile?
The InChIKey is DUFFZQBNMHXZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-11(10-16)8-15(2)9-12-6-4-5-7-13(12)14(15)17-3/h4-7,11,14H,8-9H2,1-3H3.
What are the key properties of 3-(1-methoxy-2-methyl-1,3-dihydroinden-2-yl)-2-methylpropanenitrile?
3-(1-methoxy-2-methyl-1,3-dihydroinden-2-yl)-2-methylpropanenitrile has a molecular weight of 229.32 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxy-2-methyl-1,3-dihydroinden-2-yl)-2-methylpropanenitrile is sourced from PubChem (CID 59542287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).