2,3-dimethyl-1H-pyrrole;ethane

C10H21N — CID 91612743

IUPAC2,3-dimethyl-1H-pyrrole;ethane
SMILESCC.CC.Cc1cc[nH]c1C
InChIInChI=1S/C6H9N.2C2H6/c1-5-3-4-7-6(5)2;2*1-2/h3-4,7H,1-2H3;2*1-2H3
InChIKeyZYGSOFGOZWHVEM-UHFFFAOYSA-N
MW155.28 g/mol
LogP3.68
Rot. Bonds

About 2,3-dimethyl-1H-pyrrole;ethane

2,3-dimethyl-1H-pyrrole;ethane (PubChem CID 91612743) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 2,3-dimethyl-1H-pyrrole;ethane.

Molecular Properties

Compound Name2,3-dimethyl-1H-pyrrole;ethane
PubChem CID91612743
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name2,3-dimethyl-1H-pyrrole;ethane
SMILESCC.CC.Cc1cc[nH]c1C
InChIInChI=1S/C6H9N.2C2H6/c1-5-3-4-7-6(5)2;2*1-2/h3-4,7H,1-2H3;2*1-2H3
InChIKeyZYGSOFGOZWHVEM-UHFFFAOYSA-N
XLogP3.68
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

CID 175518962
CID 175518962
2,3-dimethyl-1H-pyrrole;pyridine
CID 174958879
2,3-dimethyl-1H-pyrrole;oxiran-2-ylmethanamine
CID 175522930
3,4-dimethyl-1H-pyridin-2-one;ethane
CID 177021392
2-methyl-1H-pyrrol-3-olate
CID 152759460
CID 174539073
CID 174539073
2-methyl-3-phenyl-1H-pyrrole
CID 10419429
3-methyl-2-prop-1-enyl-1H-pyrrole
CID 123712254
ethane;7-fluoro-6-methyl-1H-indole
CID 144716067
ethane;3-ethenylsulfanyl-2-methyl-1H-pyridin-4-one
CID 143455097
ethane;ethyl 2-methyl-1H-pyrrole-3-carboxylate
CID 145287449
(2-ethyl-1H-pyrrol-3-yl)-(2-methyl-1H-pyrrol-3-yl)methanone
CID 163953336

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1H-pyrrole;ethane?
The IUPAC name of 2,3-dimethyl-1H-pyrrole;ethane (CID 91612743) is 2,3-dimethyl-1H-pyrrole;ethane.
What is the SMILES notation for 2,3-dimethyl-1H-pyrrole;ethane?
The canonical SMILES for 2,3-dimethyl-1H-pyrrole;ethane is CC.CC.Cc1cc[nH]c1C.
What is the InChIKey of 2,3-dimethyl-1H-pyrrole;ethane?
The InChIKey is ZYGSOFGOZWHVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N.2C2H6/c1-5-3-4-7-6(5)2;2*1-2/h3-4,7H,1-2H3;2*1-2H3.
What are the key properties of 2,3-dimethyl-1H-pyrrole;ethane?
2,3-dimethyl-1H-pyrrole;ethane has a molecular weight of 155.28 g/mol, XLogP of 3.68, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1H-pyrrole;ethane is sourced from PubChem (CID 91612743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).