3-propan-2-yl-1H-pyrrole

C7H11N — CID 13165124

IUPAC3-propan-2-yl-1H-pyrrole
SMILESCC(C)c1cc[nH]c1
InChIInChI=1S/C7H11N/c1-6(2)7-3-4-8-5-7/h3-6,8H,1-2H3
InChIKeyDVCXAZNRWJRKHF-UHFFFAOYSA-N
MW109.17 g/mol
LogP2.14
Rot. Bonds1

About 3-propan-2-yl-1H-pyrrole

3-propan-2-yl-1H-pyrrole (PubChem CID 13165124) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 3-propan-2-yl-1H-pyrrole.

Molecular Properties

Compound Name3-propan-2-yl-1H-pyrrole
PubChem CID13165124
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name3-propan-2-yl-1H-pyrrole
SMILESCC(C)c1cc[nH]c1
InChIInChI=1S/C7H11N/c1-6(2)7-3-4-8-5-7/h3-6,8H,1-2H3
InChIKeyDVCXAZNRWJRKHF-UHFFFAOYSA-N
XLogP2.14
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-1H-pyrrole?
The IUPAC name of 3-propan-2-yl-1H-pyrrole (CID 13165124) is 3-propan-2-yl-1H-pyrrole.
What is the SMILES notation for 3-propan-2-yl-1H-pyrrole?
The canonical SMILES for 3-propan-2-yl-1H-pyrrole is CC(C)c1cc[nH]c1.
What is the InChIKey of 3-propan-2-yl-1H-pyrrole?
The InChIKey is DVCXAZNRWJRKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-6(2)7-3-4-8-5-7/h3-6,8H,1-2H3.
What are the key properties of 3-propan-2-yl-1H-pyrrole?
3-propan-2-yl-1H-pyrrole has a molecular weight of 109.17 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1H-pyrrole is sourced from PubChem (CID 13165124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).