1,2,3,4,5,6-hexamethylbenzene;1,2,3,4,5-pentamethylpyrrole

C21H33N — CID 160751082

IUPAC1,2,3,4,5,6-hexamethylbenzene;1,2,3,4,5-pentamethylpyrrole
SMILESCc1c(C)c(C)c(C)c(C)c1C.Cc1c(C)c(C)n(C)c1C
InChIInChI=1S/C12H18.C9H15N/c1-7-8(2)10(4)12(6)11(5)9(7)3;1-6-7(2)9(4)10(5)8(6)3/h1-6H3;1-5H3
InChIKeyRWVDKURQGHGFBZ-UHFFFAOYSA-N
MW299.50 g/mol
LogP5.80
Rot. Bonds

About 1,2,3,4,5,6-hexamethylbenzene;1,2,3,4,5-pentamethylpyrrole

1,2,3,4,5,6-hexamethylbenzene;1,2,3,4,5-pentamethylpyrrole (PubChem CID 160751082) has the molecular formula C21H33N and a molecular weight of 299.50 g/mol. Its IUPAC name is 1,2,3,4,5,6-hexamethylbenzene;1,2,3,4,5-pentamethylpyrrole.

Molecular Properties

Compound Name1,2,3,4,5,6-hexamethylbenzene;1,2,3,4,5-pentamethylpyrrole
PubChem CID160751082
Molecular FormulaC21H33N
Molecular Weight299.50 g/mol
Exact Mass299.26
IUPAC Name1,2,3,4,5,6-hexamethylbenzene;1,2,3,4,5-pentamethylpyrrole
SMILESCc1c(C)c(C)c(C)c(C)c1C.Cc1c(C)c(C)n(C)c1C
InChIInChI=1S/C12H18.C9H15N/c1-7-8(2)10(4)12(6)11(5)9(7)3;1-6-7(2)9(4)10(5)8(6)3/h1-6H3;1-5H3
InChIKeyRWVDKURQGHGFBZ-UHFFFAOYSA-N
XLogP5.80
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.50
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1,2,3,4,5-pentamethylpyrrole
CID 91518020
1,2,4,5-tetramethylpyrrol-3-ol
CID 154104183
1,3,4,5-tetramethylpyrrol-2-ol
CID 174432081
tris(1,2,3,4,5-pentamethylpyrrole);tetrakis(1,2,4,5-tetramethylimidazole);bis(1,3,4,5-tetramethylpyrazole)
CID 159056156
1,2,3,4,6,7-hexamethyl-5-(2,3,4,5,6-pentamethylphenyl)indole
CID 59246608
bis(1,2,3,4,5,6-hexamethylbenzene);iron
CID 174058655
ethane;1,2,3,4,5,6-hexamethylbenzene
CID 144963527
1,2,3,4,5,6-hexamethylbenzene;methane
CID 159570864
1,3,4,5-tetramethyl-6-sulfanylidenepyrimidin-2-one
CID 155185320
1,2,3,5,6,7-hexamethyl-4-(2,3,4,5,6-pentamethylphenyl)indole
CID 59246621
3-isocyanato-1,4,5,6-tetramethylpyridin-2-one
CID 23382241
1,2,3-trimethyl-5,6-dihydro-4H-cyclopenta[b]pyrrole
CID 118372975

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6-hexamethylbenzene;1,2,3,4,5-pentamethylpyrrole?
The IUPAC name of 1,2,3,4,5,6-hexamethylbenzene;1,2,3,4,5-pentamethylpyrrole (CID 160751082) is 1,2,3,4,5,6-hexamethylbenzene;1,2,3,4,5-pentamethylpyrrole.
What is the SMILES notation for 1,2,3,4,5,6-hexamethylbenzene;1,2,3,4,5-pentamethylpyrrole?
The canonical SMILES for 1,2,3,4,5,6-hexamethylbenzene;1,2,3,4,5-pentamethylpyrrole is Cc1c(C)c(C)c(C)c(C)c1C.Cc1c(C)c(C)n(C)c1C.
What is the InChIKey of 1,2,3,4,5,6-hexamethylbenzene;1,2,3,4,5-pentamethylpyrrole?
The InChIKey is RWVDKURQGHGFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18.C9H15N/c1-7-8(2)10(4)12(6)11(5)9(7)3;1-6-7(2)9(4)10(5)8(6)3/h1-6H3;1-5H3.
What are the key properties of 1,2,3,4,5,6-hexamethylbenzene;1,2,3,4,5-pentamethylpyrrole?
1,2,3,4,5,6-hexamethylbenzene;1,2,3,4,5-pentamethylpyrrole has a molecular weight of 299.50 g/mol, XLogP of 5.80, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4,5,6-hexamethylbenzene;1,2,3,4,5-pentamethylpyrrole is sourced from PubChem (CID 160751082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).