3-cyclopropyl-4-methyl-2H-pyrrole

C8H11N — CID 161178245

IUPAC3-cyclopropyl-4-methyl-2H-pyrrole
SMILESCC1=C(C2CC2)CN=C1
InChIInChI=1S/C8H11N/c1-6-4-9-5-8(6)7-2-3-7/h4,7H,2-3,5H2,1H3
InChIKeyDKNNDJNCFLHDMZ-UHFFFAOYSA-N
MW121.18 g/mol
LogP1.80
Rot. Bonds1

About 3-cyclopropyl-4-methyl-2H-pyrrole

3-cyclopropyl-4-methyl-2H-pyrrole (PubChem CID 161178245) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 3-cyclopropyl-4-methyl-2H-pyrrole.

Molecular Properties

Compound Name3-cyclopropyl-4-methyl-2H-pyrrole
PubChem CID161178245
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name3-cyclopropyl-4-methyl-2H-pyrrole
SMILESCC1=C(C2CC2)CN=C1
InChIInChI=1S/C8H11N/c1-6-4-9-5-8(6)7-2-3-7/h4,7H,2-3,5H2,1H3
InChIKeyDKNNDJNCFLHDMZ-UHFFFAOYSA-N
XLogP1.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-methyl-2H-pyrrole?
The IUPAC name of 3-cyclopropyl-4-methyl-2H-pyrrole (CID 161178245) is 3-cyclopropyl-4-methyl-2H-pyrrole.
What is the SMILES notation for 3-cyclopropyl-4-methyl-2H-pyrrole?
The canonical SMILES for 3-cyclopropyl-4-methyl-2H-pyrrole is CC1=C(C2CC2)CN=C1.
What is the InChIKey of 3-cyclopropyl-4-methyl-2H-pyrrole?
The InChIKey is DKNNDJNCFLHDMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-6-4-9-5-8(6)7-2-3-7/h4,7H,2-3,5H2,1H3.
What are the key properties of 3-cyclopropyl-4-methyl-2H-pyrrole?
3-cyclopropyl-4-methyl-2H-pyrrole has a molecular weight of 121.18 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-methyl-2H-pyrrole is sourced from PubChem (CID 161178245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).