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

C13H21N — CID 166937927

IUPAC3-cyclopropyl-4,5-di(propan-2-yl)-2H-pyrrole
SMILESCC(C)C1=NCC(C2CC2)=C1C(C)C
InChIInChI=1S/C13H21N/c1-8(2)12-11(10-5-6-10)7-14-13(12)9(3)4/h8-10H,5-7H2,1-4H3
InChIKeyFYSXXZPOIIIJQZ-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.46
Rot. Bonds3

About 3-cyclopropyl-4,5-di(propan-2-yl)-2H-pyrrole

3-cyclopropyl-4,5-di(propan-2-yl)-2H-pyrrole (PubChem CID 166937927) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 3-cyclopropyl-4,5-di(propan-2-yl)-2H-pyrrole.

Molecular Properties

Compound Name3-cyclopropyl-4,5-di(propan-2-yl)-2H-pyrrole
PubChem CID166937927
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name3-cyclopropyl-4,5-di(propan-2-yl)-2H-pyrrole
SMILESCC(C)C1=NCC(C2CC2)=C1C(C)C
InChIInChI=1S/C13H21N/c1-8(2)12-11(10-5-6-10)7-14-13(12)9(3)4/h8-10H,5-7H2,1-4H3
InChIKeyFYSXXZPOIIIJQZ-UHFFFAOYSA-N
XLogP3.46
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4,5-di(propan-2-yl)-2H-pyrrole?
The IUPAC name of 3-cyclopropyl-4,5-di(propan-2-yl)-2H-pyrrole (CID 166937927) is 3-cyclopropyl-4,5-di(propan-2-yl)-2H-pyrrole.
What is the SMILES notation for 3-cyclopropyl-4,5-di(propan-2-yl)-2H-pyrrole?
The canonical SMILES for 3-cyclopropyl-4,5-di(propan-2-yl)-2H-pyrrole is CC(C)C1=NCC(C2CC2)=C1C(C)C.
What is the InChIKey of 3-cyclopropyl-4,5-di(propan-2-yl)-2H-pyrrole?
The InChIKey is FYSXXZPOIIIJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-8(2)12-11(10-5-6-10)7-14-13(12)9(3)4/h8-10H,5-7H2,1-4H3.
What are the key properties of 3-cyclopropyl-4,5-di(propan-2-yl)-2H-pyrrole?
3-cyclopropyl-4,5-di(propan-2-yl)-2H-pyrrole has a molecular weight of 191.32 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4,5-di(propan-2-yl)-2H-pyrrole is sourced from PubChem (CID 166937927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).