1-cyclopropyl-2-methylpyrrole

C8H11N — CID 22288599

IUPAC1-cyclopropyl-2-methylpyrrole
SMILESCc1cccn1C1CC1
InChIInChI=1S/C8H11N/c1-7-3-2-6-9(7)8-4-5-8/h2-3,6,8H,4-5H2,1H3
InChIKeyQYSQMIQRRSZNQG-UHFFFAOYSA-N
MW121.18 g/mol
LogP2.13
Rot. Bonds1

About 1-cyclopropyl-2-methylpyrrole

1-cyclopropyl-2-methylpyrrole (PubChem CID 22288599) has the molecular formula C8H11N and a molecular weight of 121.18 g/mol. Its IUPAC name is 1-cyclopropyl-2-methylpyrrole.

Molecular Properties

Compound Name1-cyclopropyl-2-methylpyrrole
PubChem CID22288599
Molecular FormulaC8H11N
Molecular Weight121.18 g/mol
Exact Mass121.09
IUPAC Name1-cyclopropyl-2-methylpyrrole
SMILESCc1cccn1C1CC1
InChIInChI=1S/C8H11N/c1-7-3-2-6-9(7)8-4-5-8/h2-3,6,8H,4-5H2,1H3
InChIKeyQYSQMIQRRSZNQG-UHFFFAOYSA-N
XLogP2.13
TPSA4.93 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 ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-methylpyrrole?
The IUPAC name of 1-cyclopropyl-2-methylpyrrole (CID 22288599) is 1-cyclopropyl-2-methylpyrrole.
What is the SMILES notation for 1-cyclopropyl-2-methylpyrrole?
The canonical SMILES for 1-cyclopropyl-2-methylpyrrole is Cc1cccn1C1CC1.
What is the InChIKey of 1-cyclopropyl-2-methylpyrrole?
The InChIKey is QYSQMIQRRSZNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N/c1-7-3-2-6-9(7)8-4-5-8/h2-3,6,8H,4-5H2,1H3.
What are the key properties of 1-cyclopropyl-2-methylpyrrole?
1-cyclopropyl-2-methylpyrrole has a molecular weight of 121.18 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-methylpyrrole is sourced from PubChem (CID 22288599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).