5-methyl-3-(2-methylpropyl)-2H-pyrrole

C9H15N — CID 138654604

IUPAC5-methyl-3-(2-methylpropyl)-2H-pyrrole
SMILESCC1=NCC(CC(C)C)=C1
InChIInChI=1S/C9H15N/c1-7(2)4-9-5-8(3)10-6-9/h5,7H,4,6H2,1-3H3
InChIKeyHDRZDBLZRCXUGR-UHFFFAOYSA-N
MW137.23 g/mol
LogP2.43
Rot. Bonds2

About 5-methyl-3-(2-methylpropyl)-2H-pyrrole

5-methyl-3-(2-methylpropyl)-2H-pyrrole (PubChem CID 138654604) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 5-methyl-3-(2-methylpropyl)-2H-pyrrole.

Molecular Properties

Compound Name5-methyl-3-(2-methylpropyl)-2H-pyrrole
PubChem CID138654604
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name5-methyl-3-(2-methylpropyl)-2H-pyrrole
SMILESCC1=NCC(CC(C)C)=C1
InChIInChI=1S/C9H15N/c1-7(2)4-9-5-8(3)10-6-9/h5,7H,4,6H2,1-3H3
InChIKeyHDRZDBLZRCXUGR-UHFFFAOYSA-N
XLogP2.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;5-methyl-2H-pyrrol-3-amine
CID 91228412
5-(2-methylpropyl)-4,7-dihydro-1,3-benzodioxole
CID 10976092
1-(2-methylpropyl)cyclopenta-1,3-diene
CID 528164
1,2,4-trimethyl-5-(2-methylpropyl)benzene
CID 22968949
N-[(3S)-5-methyl-4-oxo-2,3-dihydro-1,5-benzoxazepin-3-yl]-3-(2-methylpropyl)-2H-pyrrole-5-carboxamide
CID 158982673
5-methyl-6-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine
CID 126703124
1,2-bis(2-methylpropyl)benzene;hydrate
CID 172819121
7-chloro-5-(2-methylpropyl)-2,3-dihydro-1,4-benzodioxine
CID 90860259
3-methyl-5-(2-methylpropyl)-4H-pyrazole
CID 155399043
2,4-dichloro-3-methyl-1,5-bis(2-methylpropyl)benzene
CID 141214652
5-iodo-1,2,3-tris(2-methylpropyl)benzene
CID 170062078
methane;1-methyl-2-(2-methylpropyl)benzene
CID 142148493

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2-methylpropyl)-2H-pyrrole?
The IUPAC name of 5-methyl-3-(2-methylpropyl)-2H-pyrrole (CID 138654604) is 5-methyl-3-(2-methylpropyl)-2H-pyrrole.
What is the SMILES notation for 5-methyl-3-(2-methylpropyl)-2H-pyrrole?
The canonical SMILES for 5-methyl-3-(2-methylpropyl)-2H-pyrrole is CC1=NCC(CC(C)C)=C1.
What is the InChIKey of 5-methyl-3-(2-methylpropyl)-2H-pyrrole?
The InChIKey is HDRZDBLZRCXUGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-7(2)4-9-5-8(3)10-6-9/h5,7H,4,6H2,1-3H3.
What are the key properties of 5-methyl-3-(2-methylpropyl)-2H-pyrrole?
5-methyl-3-(2-methylpropyl)-2H-pyrrole has a molecular weight of 137.23 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-methylpropyl)-2H-pyrrole is sourced from PubChem (CID 138654604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).