1-[(2S)-butan-2-yl]-2,5-dimethylpyrrole

C10H17N — CID 7036282

IUPAC1-[(2S)-butan-2-yl]-2,5-dimethylpyrrole
SMILESCC[C@H](C)n1c(C)ccc1C
InChIInChI=1S/C10H17N/c1-5-8(2)11-9(3)6-7-10(11)4/h6-8H,5H2,1-4H3/t8-/m0/s1
InChIKeyOCHWMCOTLFBHFS-QMMMGPOBSA-N
MW151.25 g/mol
LogP3.08
Rot. Bonds2

About 1-[(2S)-butan-2-yl]-2,5-dimethylpyrrole

1-[(2S)-butan-2-yl]-2,5-dimethylpyrrole (PubChem CID 7036282) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 1-[(2S)-butan-2-yl]-2,5-dimethylpyrrole.

Molecular Properties

Compound Name1-[(2S)-butan-2-yl]-2,5-dimethylpyrrole
PubChem CID7036282
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name1-[(2S)-butan-2-yl]-2,5-dimethylpyrrole
SMILESCC[C@H](C)n1c(C)ccc1C
InChIInChI=1S/C10H17N/c1-5-8(2)11-9(3)6-7-10(11)4/h6-8H,5H2,1-4H3/t8-/m0/s1
InChIKeyOCHWMCOTLFBHFS-QMMMGPOBSA-N
XLogP3.08
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,5-dimethylpyrrol-1-yl)propan-1-ol
CID 12603253
1-heptan-2-yl-2,5-dimethylpyrrole
CID 63404385
1-butan-2-yl-6-methyl-3-(methylaminomethyl)pyridin-2-one
CID 82525099
2-(1-butan-2-yl-6-methyl-2-oxo-3-pyridinyl)acetonitrile
CID 82525085
2-butan-2-yl-5-methyl-1-propan-2-ylpyrrole
CID 91672106
1-(4-methoxybutan-2-yl)-2,5-dimethylpyrrole
CID 64604508
3-[amino-(3,4-dimethylphenyl)methyl]-1-butan-2-yl-6-methylpyridin-2-one
CID 82525075
1-butan-2-yl-2-methylpyrrole
CID 90886743
[(2S)-2-(2,5-dimethylpyrrol-1-yl)propyl] acetate
CID 22812933
1-butan-2-yl-6-methylpyrimidine-2,4-dione
CID 67797198
2,5-dimethyl-1-(1-thiophen-2-ylpropan-2-yl)pyrrole
CID 60723209
1-butan-2-yl-5-[(4-methylphenyl)methyl]pyrrole-2-carbaldehyde
CID 133155149

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-butan-2-yl]-2,5-dimethylpyrrole?
The IUPAC name of 1-[(2S)-butan-2-yl]-2,5-dimethylpyrrole (CID 7036282) is 1-[(2S)-butan-2-yl]-2,5-dimethylpyrrole.
What is the SMILES notation for 1-[(2S)-butan-2-yl]-2,5-dimethylpyrrole?
The canonical SMILES for 1-[(2S)-butan-2-yl]-2,5-dimethylpyrrole is CC[C@H](C)n1c(C)ccc1C.
What is the InChIKey of 1-[(2S)-butan-2-yl]-2,5-dimethylpyrrole?
The InChIKey is OCHWMCOTLFBHFS-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17N/c1-5-8(2)11-9(3)6-7-10(11)4/h6-8H,5H2,1-4H3/t8-/m0/s1.
What are the key properties of 1-[(2S)-butan-2-yl]-2,5-dimethylpyrrole?
1-[(2S)-butan-2-yl]-2,5-dimethylpyrrole has a molecular weight of 151.25 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-butan-2-yl]-2,5-dimethylpyrrole is sourced from PubChem (CID 7036282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).