2-methyl-3-propyl-3H-pyrrole

C8H13N — CID 20806847

IUPAC2-methyl-3-propyl-3H-pyrrole
SMILESCCCC1C=CN=C1C
InChIInChI=1S/C8H13N/c1-3-4-8-5-6-9-7(8)2/h5-6,8H,3-4H2,1-2H3
InChIKeyQLJLGCWJJWOGIA-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.39
Rot. Bonds2

About 2-methyl-3-propyl-3H-pyrrole

2-methyl-3-propyl-3H-pyrrole (PubChem CID 20806847) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 2-methyl-3-propyl-3H-pyrrole.

Molecular Properties

Compound Name2-methyl-3-propyl-3H-pyrrole
PubChem CID20806847
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name2-methyl-3-propyl-3H-pyrrole
SMILESCCCC1C=CN=C1C
InChIInChI=1S/C8H13N/c1-3-4-8-5-6-9-7(8)2/h5-6,8H,3-4H2,1-2H3
InChIKeyQLJLGCWJJWOGIA-UHFFFAOYSA-N
XLogP2.39
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-Fluoro-2-methylpropyl)-3-methyl-3,4-dihydropyridine
CID 141419498
3-Fluoro-4-methyl-2-propan-2-yl-3,4-dihydropyridine
CID 154991486
2-ethyl-3-(trifluoromethyl)-4,5-dihydro-3H-azepine
CID 163622753
2,4-Dimethyl-4-ethylpyridine
CID 129809879
Azabicyclo[3.2.1]octadiene
CID 129817585
2-Propan-2-yl-3,4-dihydropyridine
CID 14979254
2,3-dimethyl-3H-pyrrole
CID 17769177
2-propyl-3H-pyrrole
CID 20586212
4,5,6,7-tetrahydro-3aH-indole
CID 20614425
2-tert-butyl-3H-pyrrole
CID 20633656
2-methyl-4-propan-2-yl-3H-pyrrole
CID 20745704
2-propan-2-yl-3H-pyrrole
CID 23563334

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-propyl-3H-pyrrole?
The IUPAC name of 2-methyl-3-propyl-3H-pyrrole (CID 20806847) is 2-methyl-3-propyl-3H-pyrrole.
What is the SMILES notation for 2-methyl-3-propyl-3H-pyrrole?
The canonical SMILES for 2-methyl-3-propyl-3H-pyrrole is CCCC1C=CN=C1C.
What is the InChIKey of 2-methyl-3-propyl-3H-pyrrole?
The InChIKey is QLJLGCWJJWOGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-3-4-8-5-6-9-7(8)2/h5-6,8H,3-4H2,1-2H3.
What are the key properties of 2-methyl-3-propyl-3H-pyrrole?
2-methyl-3-propyl-3H-pyrrole has a molecular weight of 123.20 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-propyl-3H-pyrrole is sourced from PubChem (CID 20806847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).