2,2-dimethylpropane;ethane;3H-pyrrole

C11H23N — CID 91543785

IUPAC2,2-dimethylpropane;ethane;3H-pyrrole
SMILESC1=CN=CC1.CC.CC(C)(C)C
InChIInChI=1S/C5H12.C4H5N.C2H6/c1-5(2,3)4;1-2-4-5-3-1;1-2/h1-4H3;1,3-4H,2H2;1-2H3
InChIKeyYPQHRGXWKHKEDA-UHFFFAOYSA-N
MW169.31 g/mol
LogP4.05
Rot. Bonds

About 2,2-dimethylpropane;ethane;3H-pyrrole

2,2-dimethylpropane;ethane;3H-pyrrole (PubChem CID 91543785) has the molecular formula C11H23N and a molecular weight of 169.31 g/mol. Its IUPAC name is 2,2-dimethylpropane;ethane;3H-pyrrole.

Molecular Properties

Compound Name2,2-dimethylpropane;ethane;3H-pyrrole
PubChem CID91543785
Molecular FormulaC11H23N
Molecular Weight169.31 g/mol
Exact Mass169.18
IUPAC Name2,2-dimethylpropane;ethane;3H-pyrrole
SMILESC1=CN=CC1.CC.CC(C)(C)C
InChIInChI=1S/C5H12.C4H5N.C2H6/c1-5(2,3)4;1-2-4-5-3-1;1-2/h1-4H3;1,3-4H,2H2;1-2H3
InChIKeyYPQHRGXWKHKEDA-UHFFFAOYSA-N
XLogP4.05
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.31
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropane;ethane;3H-pyrrole?
The IUPAC name of 2,2-dimethylpropane;ethane;3H-pyrrole (CID 91543785) is 2,2-dimethylpropane;ethane;3H-pyrrole.
What is the SMILES notation for 2,2-dimethylpropane;ethane;3H-pyrrole?
The canonical SMILES for 2,2-dimethylpropane;ethane;3H-pyrrole is C1=CN=CC1.CC.CC(C)(C)C.
What is the InChIKey of 2,2-dimethylpropane;ethane;3H-pyrrole?
The InChIKey is YPQHRGXWKHKEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.C4H5N.C2H6/c1-5(2,3)4;1-2-4-5-3-1;1-2/h1-4H3;1,3-4H,2H2;1-2H3.
What are the key properties of 2,2-dimethylpropane;ethane;3H-pyrrole?
2,2-dimethylpropane;ethane;3H-pyrrole has a molecular weight of 169.31 g/mol, XLogP of 4.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropane;ethane;3H-pyrrole is sourced from PubChem (CID 91543785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).