ethane;2,2,3,3-tetramethyl-1-phenylpyrrole

C16H25N — CID 144805492

IUPACethane;2,2,3,3-tetramethyl-1-phenylpyrrole
SMILESCC.CC1(C)C=CN(c2ccccc2)C1(C)C
InChIInChI=1S/C14H19N.C2H6/c1-13(2)10-11-15(14(13,3)4)12-8-6-5-7-9-12;1-2/h5-11H,1-4H3;1-2H3
InChIKeyFKRDOLXZYQRRCY-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.85
Rot. Bonds1

About ethane;2,2,3,3-tetramethyl-1-phenylpyrrole

ethane;2,2,3,3-tetramethyl-1-phenylpyrrole (PubChem CID 144805492) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is ethane;2,2,3,3-tetramethyl-1-phenylpyrrole.

Molecular Properties

Compound Nameethane;2,2,3,3-tetramethyl-1-phenylpyrrole
PubChem CID144805492
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Nameethane;2,2,3,3-tetramethyl-1-phenylpyrrole
SMILESCC.CC1(C)C=CN(c2ccccc2)C1(C)C
InChIInChI=1S/C14H19N.C2H6/c1-13(2)10-11-15(14(13,3)4)12-8-6-5-7-9-12;1-2/h5-11H,1-4H3;1-2H3
InChIKeyFKRDOLXZYQRRCY-UHFFFAOYSA-N
XLogP4.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;2,2,3,3-tetramethyl-1-phenylpyrrole?
The IUPAC name of ethane;2,2,3,3-tetramethyl-1-phenylpyrrole (CID 144805492) is ethane;2,2,3,3-tetramethyl-1-phenylpyrrole.
What is the SMILES notation for ethane;2,2,3,3-tetramethyl-1-phenylpyrrole?
The canonical SMILES for ethane;2,2,3,3-tetramethyl-1-phenylpyrrole is CC.CC1(C)C=CN(c2ccccc2)C1(C)C.
What is the InChIKey of ethane;2,2,3,3-tetramethyl-1-phenylpyrrole?
The InChIKey is FKRDOLXZYQRRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N.C2H6/c1-13(2)10-11-15(14(13,3)4)12-8-6-5-7-9-12;1-2/h5-11H,1-4H3;1-2H3.
What are the key properties of ethane;2,2,3,3-tetramethyl-1-phenylpyrrole?
ethane;2,2,3,3-tetramethyl-1-phenylpyrrole has a molecular weight of 231.38 g/mol, XLogP of 4.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,2,3,3-tetramethyl-1-phenylpyrrole is sourced from PubChem (CID 144805492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).