1-propan-2-ylpyrrole

C7H11N — CID 527511

IUPAC1-propan-2-ylpyrrole
SMILESCC(C)n1cccc1
InChIInChI=1S/C7H11N/c1-7(2)8-5-3-4-6-8/h3-7H,1-2H3
InChIKeyKNDUGOWIKQAXHL-UHFFFAOYSA-N
MW109.17 g/mol
LogP2.07
Rot. Bonds1

About 1-propan-2-ylpyrrole

1-propan-2-ylpyrrole (PubChem CID 527511) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 1-propan-2-ylpyrrole.

Molecular Properties

Compound Name1-propan-2-ylpyrrole
PubChem CID527511
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name1-propan-2-ylpyrrole
SMILESCC(C)n1cccc1
InChIInChI=1S/C7H11N/c1-7(2)8-5-3-4-6-8/h3-7H,1-2H3
InChIKeyKNDUGOWIKQAXHL-UHFFFAOYSA-N
XLogP2.07
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylpyrrole?
The IUPAC name of 1-propan-2-ylpyrrole (CID 527511) is 1-propan-2-ylpyrrole.
What is the SMILES notation for 1-propan-2-ylpyrrole?
The canonical SMILES for 1-propan-2-ylpyrrole is CC(C)n1cccc1.
What is the InChIKey of 1-propan-2-ylpyrrole?
The InChIKey is KNDUGOWIKQAXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-7(2)8-5-3-4-6-8/h3-7H,1-2H3.
What are the key properties of 1-propan-2-ylpyrrole?
1-propan-2-ylpyrrole has a molecular weight of 109.17 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylpyrrole is sourced from PubChem (CID 527511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).