2-methyl-4,5-di(propan-2-yl)-2H-pyrrole

C11H19N — CID 89060382

IUPAC2-methyl-4,5-di(propan-2-yl)-2H-pyrrole
SMILESCC1C=C(C(C)C)C(C(C)C)=N1
InChIInChI=1S/C11H19N/c1-7(2)10-6-9(5)12-11(10)8(3)4/h6-9H,1-5H3
InChIKeyYBQKRAKQWFRMCI-UHFFFAOYSA-N
MW165.28 g/mol
LogP3.07
Rot. Bonds2

About 2-methyl-4,5-di(propan-2-yl)-2H-pyrrole

2-methyl-4,5-di(propan-2-yl)-2H-pyrrole (PubChem CID 89060382) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 2-methyl-4,5-di(propan-2-yl)-2H-pyrrole.

Molecular Properties

Compound Name2-methyl-4,5-di(propan-2-yl)-2H-pyrrole
PubChem CID89060382
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name2-methyl-4,5-di(propan-2-yl)-2H-pyrrole
SMILESCC1C=C(C(C)C)C(C(C)C)=N1
InChIInChI=1S/C11H19N/c1-7(2)10-6-9(5)12-11(10)8(3)4/h6-9H,1-5H3
InChIKeyYBQKRAKQWFRMCI-UHFFFAOYSA-N
XLogP3.07
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethyl-5-(2-fluoropropan-2-yl)-2H-pyrrole
CID 154987793
(4Z,9Z)-2-methyl-3,3a,6,7,8,10a-hexahydrocyclonona[b]pyrrole
CID 11298264
(3aR,4Z,9Z,10aS)-2-methyl-3,3a,6,7,8,10a-hexahydrocyclonona[b]pyrrole
CID 102274163
5-Methyl-4-pentyl-2h-pyrrole
CID 134817822
(4E)-2,2,5-trimethyl-4-(2-methylpropylidene)-3H-pyrrole
CID 23252301
2,3,6-trimethyl-N,5-di(propan-2-yl)hepta-2,5-dien-4-imine
CID 20647016
2,5-dimethyl-N,4-di(propan-2-yl)hex-4-en-3-imine
CID 20647017
4,5-di(propan-2-yl)-2H-pyrrole
CID 22891060
5-tert-butyl-4-methyl-2H-pyrrole
CID 58099547
2,3,5-tri(propan-2-yl)-2H-pyrrole
CID 58164648
2,4,5-tri(propan-2-yl)-2H-pyrrole
CID 58164706
4-methyl-5-propan-2-yl-2H-pyrrole
CID 58318552

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5-di(propan-2-yl)-2H-pyrrole?
The IUPAC name of 2-methyl-4,5-di(propan-2-yl)-2H-pyrrole (CID 89060382) is 2-methyl-4,5-di(propan-2-yl)-2H-pyrrole.
What is the SMILES notation for 2-methyl-4,5-di(propan-2-yl)-2H-pyrrole?
The canonical SMILES for 2-methyl-4,5-di(propan-2-yl)-2H-pyrrole is CC1C=C(C(C)C)C(C(C)C)=N1.
What is the InChIKey of 2-methyl-4,5-di(propan-2-yl)-2H-pyrrole?
The InChIKey is YBQKRAKQWFRMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-7(2)10-6-9(5)12-11(10)8(3)4/h6-9H,1-5H3.
What are the key properties of 2-methyl-4,5-di(propan-2-yl)-2H-pyrrole?
2-methyl-4,5-di(propan-2-yl)-2H-pyrrole has a molecular weight of 165.28 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5-di(propan-2-yl)-2H-pyrrole is sourced from PubChem (CID 89060382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).