5-cyclopropyl-3-methyl-4-propan-2-yl-2H-pyrrole

C11H17N — CID 158462023

IUPAC5-cyclopropyl-3-methyl-4-propan-2-yl-2H-pyrrole
SMILESCC1=C(C(C)C)C(C2CC2)=NC1
InChIInChI=1S/C11H17N/c1-7(2)10-8(3)6-12-11(10)9-4-5-9/h7,9H,4-6H2,1-3H3
InChIKeyJLNQYHQUVLKOAQ-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.82
Rot. Bonds2

About 5-cyclopropyl-3-methyl-4-propan-2-yl-2H-pyrrole

5-cyclopropyl-3-methyl-4-propan-2-yl-2H-pyrrole (PubChem CID 158462023) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 5-cyclopropyl-3-methyl-4-propan-2-yl-2H-pyrrole.

Molecular Properties

Compound Name5-cyclopropyl-3-methyl-4-propan-2-yl-2H-pyrrole
PubChem CID158462023
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name5-cyclopropyl-3-methyl-4-propan-2-yl-2H-pyrrole
SMILESCC1=C(C(C)C)C(C2CC2)=NC1
InChIInChI=1S/C11H17N/c1-7(2)10-8(3)6-12-11(10)9-4-5-9/h7,9H,4-6H2,1-3H3
InChIKeyJLNQYHQUVLKOAQ-UHFFFAOYSA-N
XLogP2.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-methyl-4-propan-2-yl-2H-pyrrole?
The IUPAC name of 5-cyclopropyl-3-methyl-4-propan-2-yl-2H-pyrrole (CID 158462023) is 5-cyclopropyl-3-methyl-4-propan-2-yl-2H-pyrrole.
What is the SMILES notation for 5-cyclopropyl-3-methyl-4-propan-2-yl-2H-pyrrole?
The canonical SMILES for 5-cyclopropyl-3-methyl-4-propan-2-yl-2H-pyrrole is CC1=C(C(C)C)C(C2CC2)=NC1.
What is the InChIKey of 5-cyclopropyl-3-methyl-4-propan-2-yl-2H-pyrrole?
The InChIKey is JLNQYHQUVLKOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-7(2)10-8(3)6-12-11(10)9-4-5-9/h7,9H,4-6H2,1-3H3.
What are the key properties of 5-cyclopropyl-3-methyl-4-propan-2-yl-2H-pyrrole?
5-cyclopropyl-3-methyl-4-propan-2-yl-2H-pyrrole has a molecular weight of 163.26 g/mol, XLogP of 2.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-methyl-4-propan-2-yl-2H-pyrrole is sourced from PubChem (CID 158462023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).