4-cyclopropyl-3,5-dimethyl-3H-pyrrole

C9H13N — CID 69174234

IUPAC4-cyclopropyl-3,5-dimethyl-3H-pyrrole
SMILESCC1=C(C2CC2)C(C)C=N1
InChIInChI=1S/C9H13N/c1-6-5-10-7(2)9(6)8-3-4-8/h5-6,8H,3-4H2,1-2H3
InChIKeyBLUAQVJOJGTSTO-UHFFFAOYSA-N
MW135.21 g/mol
LogP2.39
Rot. Bonds1

About 4-cyclopropyl-3,5-dimethyl-3H-pyrrole

4-cyclopropyl-3,5-dimethyl-3H-pyrrole (PubChem CID 69174234) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 4-cyclopropyl-3,5-dimethyl-3H-pyrrole.

Molecular Properties

Compound Name4-cyclopropyl-3,5-dimethyl-3H-pyrrole
PubChem CID69174234
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name4-cyclopropyl-3,5-dimethyl-3H-pyrrole
SMILESCC1=C(C2CC2)C(C)C=N1
InChIInChI=1S/C9H13N/c1-6-5-10-7(2)9(6)8-3-4-8/h5-6,8H,3-4H2,1-2H3
InChIKeyBLUAQVJOJGTSTO-UHFFFAOYSA-N
XLogP2.39
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3,5-dimethyl-3H-pyrrole?
The IUPAC name of 4-cyclopropyl-3,5-dimethyl-3H-pyrrole (CID 69174234) is 4-cyclopropyl-3,5-dimethyl-3H-pyrrole.
What is the SMILES notation for 4-cyclopropyl-3,5-dimethyl-3H-pyrrole?
The canonical SMILES for 4-cyclopropyl-3,5-dimethyl-3H-pyrrole is CC1=C(C2CC2)C(C)C=N1.
What is the InChIKey of 4-cyclopropyl-3,5-dimethyl-3H-pyrrole?
The InChIKey is BLUAQVJOJGTSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-6-5-10-7(2)9(6)8-3-4-8/h5-6,8H,3-4H2,1-2H3.
What are the key properties of 4-cyclopropyl-3,5-dimethyl-3H-pyrrole?
4-cyclopropyl-3,5-dimethyl-3H-pyrrole has a molecular weight of 135.21 g/mol, XLogP of 2.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3,5-dimethyl-3H-pyrrole is sourced from PubChem (CID 69174234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).