2-(5,5-dimethyl-1,3-dioxan-2-yl)-4-methyl-1H-pyrrole

C11H17NO2 — CID 10703013

IUPAC2-(5,5-dimethyl-1,3-dioxan-2-yl)-4-methyl-1H-pyrrole
SMILESCc1c[nH]c(C2OCC(C)(C)CO2)c1
InChIInChI=1S/C11H17NO2/c1-8-4-9(12-5-8)10-13-6-11(2,3)7-14-10/h4-5,10,12H,6-7H2,1-3H3
InChIKeyKUAFHHCVTOHCNU-UHFFFAOYSA-N
MW195.26 g/mol
LogP2.39
Rot. Bonds1

About 2-(5,5-dimethyl-1,3-dioxan-2-yl)-4-methyl-1H-pyrrole

2-(5,5-dimethyl-1,3-dioxan-2-yl)-4-methyl-1H-pyrrole (PubChem CID 10703013) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-(5,5-dimethyl-1,3-dioxan-2-yl)-4-methyl-1H-pyrrole.

Molecular Properties

Compound Name2-(5,5-dimethyl-1,3-dioxan-2-yl)-4-methyl-1H-pyrrole
PubChem CID10703013
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-(5,5-dimethyl-1,3-dioxan-2-yl)-4-methyl-1H-pyrrole
SMILESCc1c[nH]c(C2OCC(C)(C)CO2)c1
InChIInChI=1S/C11H17NO2/c1-8-4-9(12-5-8)10-13-6-11(2,3)7-14-10/h4-5,10,12H,6-7H2,1-3H3
InChIKeyKUAFHHCVTOHCNU-UHFFFAOYSA-N
XLogP2.39
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

CID 11141668
CID 11141668
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2-(2-fluorophenyl)-5,5-dimethyl-1,3-dioxane
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5-amino-3-(5,5-dimethyl-1,3-dioxan-2-yl)indol-2-one
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2-[4-[(1E,3E,5E,7E)-8-[4-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl]octa-1,3,5,7-tetraenyl]phenyl]-5,5-dimethyl-1,3-dioxane
CID 10528957
5,5-dimethyl-2-(3-methylphenyl)-1,3-oxazinane
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CID 141110107
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Frequently Asked Questions

What is the IUPAC name of 2-(5,5-dimethyl-1,3-dioxan-2-yl)-4-methyl-1H-pyrrole?
The IUPAC name of 2-(5,5-dimethyl-1,3-dioxan-2-yl)-4-methyl-1H-pyrrole (CID 10703013) is 2-(5,5-dimethyl-1,3-dioxan-2-yl)-4-methyl-1H-pyrrole.
What is the SMILES notation for 2-(5,5-dimethyl-1,3-dioxan-2-yl)-4-methyl-1H-pyrrole?
The canonical SMILES for 2-(5,5-dimethyl-1,3-dioxan-2-yl)-4-methyl-1H-pyrrole is Cc1c[nH]c(C2OCC(C)(C)CO2)c1.
What is the InChIKey of 2-(5,5-dimethyl-1,3-dioxan-2-yl)-4-methyl-1H-pyrrole?
The InChIKey is KUAFHHCVTOHCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-8-4-9(12-5-8)10-13-6-11(2,3)7-14-10/h4-5,10,12H,6-7H2,1-3H3.
What are the key properties of 2-(5,5-dimethyl-1,3-dioxan-2-yl)-4-methyl-1H-pyrrole?
2-(5,5-dimethyl-1,3-dioxan-2-yl)-4-methyl-1H-pyrrole has a molecular weight of 195.26 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,5-dimethyl-1,3-dioxan-2-yl)-4-methyl-1H-pyrrole is sourced from PubChem (CID 10703013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).