2-propan-2-yl-3H-pyrrole

C7H11N — CID 23563334

IUPAC2-propan-2-yl-3H-pyrrole
SMILESCC(C)C1=NC=CC1
InChIInChI=1S/C7H11N/c1-6(2)7-4-3-5-8-7/h3,5-6H,4H2,1-2H3
InChIKeyPKBAYARWBSAYRB-UHFFFAOYSA-N
MW109.17 g/mol
LogP2.00
Rot. Bonds1

About 2-propan-2-yl-3H-pyrrole

2-propan-2-yl-3H-pyrrole (PubChem CID 23563334) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 2-propan-2-yl-3H-pyrrole.

Molecular Properties

Compound Name2-propan-2-yl-3H-pyrrole
PubChem CID23563334
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name2-propan-2-yl-3H-pyrrole
SMILESCC(C)C1=NC=CC1
InChIInChI=1S/C7H11N/c1-6(2)7-4-3-5-8-7/h3,5-6H,4H2,1-2H3
InChIKeyPKBAYARWBSAYRB-UHFFFAOYSA-N
XLogP2.00
TPSA12.36 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 ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-3H-pyrrole?
The IUPAC name of 2-propan-2-yl-3H-pyrrole (CID 23563334) is 2-propan-2-yl-3H-pyrrole.
What is the SMILES notation for 2-propan-2-yl-3H-pyrrole?
The canonical SMILES for 2-propan-2-yl-3H-pyrrole is CC(C)C1=NC=CC1.
What is the InChIKey of 2-propan-2-yl-3H-pyrrole?
The InChIKey is PKBAYARWBSAYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-6(2)7-4-3-5-8-7/h3,5-6H,4H2,1-2H3.
What are the key properties of 2-propan-2-yl-3H-pyrrole?
2-propan-2-yl-3H-pyrrole has a molecular weight of 109.17 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-3H-pyrrole is sourced from PubChem (CID 23563334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).