ethane;1,2,3,4,5-pentamethylpyrrole

C11H21N — CID 91518020

IUPACethane;1,2,3,4,5-pentamethylpyrrole
SMILESCC.Cc1c(C)c(C)n(C)c1C
InChIInChI=1S/C9H15N.C2H6/c1-6-7(2)9(4)10(5)8(6)3;1-2/h1-5H3;1-2H3
InChIKeyHWTQXWADHNBJJC-UHFFFAOYSA-N
MW167.30 g/mol
LogP3.28
Rot. Bonds

About ethane;1,2,3,4,5-pentamethylpyrrole

ethane;1,2,3,4,5-pentamethylpyrrole (PubChem CID 91518020) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is ethane;1,2,3,4,5-pentamethylpyrrole.

Molecular Properties

Compound Nameethane;1,2,3,4,5-pentamethylpyrrole
PubChem CID91518020
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Nameethane;1,2,3,4,5-pentamethylpyrrole
SMILESCC.Cc1c(C)c(C)n(C)c1C
InChIInChI=1S/C9H15N.C2H6/c1-6-7(2)9(4)10(5)8(6)3;1-2/h1-5H3;1-2H3
InChIKeyHWTQXWADHNBJJC-UHFFFAOYSA-N
XLogP3.28
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;1,2,3,4,5-pentamethylpyrrole?
The IUPAC name of ethane;1,2,3,4,5-pentamethylpyrrole (CID 91518020) is ethane;1,2,3,4,5-pentamethylpyrrole.
What is the SMILES notation for ethane;1,2,3,4,5-pentamethylpyrrole?
The canonical SMILES for ethane;1,2,3,4,5-pentamethylpyrrole is CC.Cc1c(C)c(C)n(C)c1C.
What is the InChIKey of ethane;1,2,3,4,5-pentamethylpyrrole?
The InChIKey is HWTQXWADHNBJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N.C2H6/c1-6-7(2)9(4)10(5)8(6)3;1-2/h1-5H3;1-2H3.
What are the key properties of ethane;1,2,3,4,5-pentamethylpyrrole?
ethane;1,2,3,4,5-pentamethylpyrrole has a molecular weight of 167.30 g/mol, XLogP of 3.28, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,2,3,4,5-pentamethylpyrrole is sourced from PubChem (CID 91518020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).