methane;2,4,5-trimethyl-3H-pyrrole

C8H15N — CID 161337167

IUPACmethane;2,4,5-trimethyl-3H-pyrrole
SMILESC.CC1=NC(C)=C(C)C1
InChIInChI=1S/C7H11N.CH4/c1-5-4-6(2)8-7(5)3;/h4H2,1-3H3;1H4
InChIKeyVMELKWDYJDQBPX-UHFFFAOYSA-N
MW125.21 g/mol
LogP2.78
Rot. Bonds

About methane;2,4,5-trimethyl-3H-pyrrole

methane;2,4,5-trimethyl-3H-pyrrole (PubChem CID 161337167) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is methane;2,4,5-trimethyl-3H-pyrrole.

Molecular Properties

Compound Namemethane;2,4,5-trimethyl-3H-pyrrole
PubChem CID161337167
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Namemethane;2,4,5-trimethyl-3H-pyrrole
SMILESC.CC1=NC(C)=C(C)C1
InChIInChI=1S/C7H11N.CH4/c1-5-4-6(2)8-7(5)3;/h4H2,1-3H3;1H4
InChIKeyVMELKWDYJDQBPX-UHFFFAOYSA-N
XLogP2.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,4-dimethyl-5-(trifluoromethyl)-3H-pyrrole
CID 89393939
5-tert-butyl-4-fluoro-2-methyl-3H-pyrrole
CID 146393052
2,3,3,4,5-Pentamethylpyrrole
CID 301930
2,4,5-trimethyl-3H-pyrrole
CID 9793719
2,4,5-Trimethyl-3,6-dihydrocyclopenta[b]pyrrole
CID 20647159
4-ethyl-2,5-dimethyl-3H-pyrrole
CID 20765952
2-tert-butyl-4,5-dimethyl-3H-pyrrole
CID 21050596
4-ethyl-2,3,5-trimethyl-3H-pyrrole
CID 21054911
1,2,4,5-tetramethyl-3H-pyrrol-1-ium
CID 21335521
2-(4,5-dimethyl-3H-pyrrol-2-yl)-4,5-dimethyl-3H-pyrrole
CID 23542589
2,3,4,5-tetramethyl-3H-pyrrole
CID 53757448
2,3,4-Triethylazete
CID 57185997

Frequently Asked Questions

What is the IUPAC name of methane;2,4,5-trimethyl-3H-pyrrole?
The IUPAC name of methane;2,4,5-trimethyl-3H-pyrrole (CID 161337167) is methane;2,4,5-trimethyl-3H-pyrrole.
What is the SMILES notation for methane;2,4,5-trimethyl-3H-pyrrole?
The canonical SMILES for methane;2,4,5-trimethyl-3H-pyrrole is C.CC1=NC(C)=C(C)C1.
What is the InChIKey of methane;2,4,5-trimethyl-3H-pyrrole?
The InChIKey is VMELKWDYJDQBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N.CH4/c1-5-4-6(2)8-7(5)3;/h4H2,1-3H3;1H4.
What are the key properties of methane;2,4,5-trimethyl-3H-pyrrole?
methane;2,4,5-trimethyl-3H-pyrrole has a molecular weight of 125.21 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2,4,5-trimethyl-3H-pyrrole is sourced from PubChem (CID 161337167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).