5-(4-methylphenyl)-2,3-dihydro-1H-pyrrole

C11H13N — CID 101354597

IUPAC5-(4-methylphenyl)-2,3-dihydro-1H-pyrrole
SMILESCc1ccc(C2=CCCN2)cc1
InChIInChI=1S/C11H13N/c1-9-4-6-10(7-5-9)11-3-2-8-12-11/h3-7,12H,2,8H2,1H3
InChIKeyYGIDMKOAPUNGGB-UHFFFAOYSA-N
MW159.23 g/mol
LogP2.33
Rot. Bonds1

About 5-(4-methylphenyl)-2,3-dihydro-1H-pyrrole

5-(4-methylphenyl)-2,3-dihydro-1H-pyrrole (PubChem CID 101354597) has the molecular formula C11H13N and a molecular weight of 159.23 g/mol. Its IUPAC name is 5-(4-methylphenyl)-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name5-(4-methylphenyl)-2,3-dihydro-1H-pyrrole
PubChem CID101354597
Molecular FormulaC11H13N
Molecular Weight159.23 g/mol
Exact Mass159.10
IUPAC Name5-(4-methylphenyl)-2,3-dihydro-1H-pyrrole
SMILESCc1ccc(C2=CCCN2)cc1
InChIInChI=1S/C11H13N/c1-9-4-6-10(7-5-9)11-3-2-8-12-11/h3-7,12H,2,8H2,1H3
InChIKeyYGIDMKOAPUNGGB-UHFFFAOYSA-N
XLogP2.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-2,3-dihydro-1H-pyrrole?
The IUPAC name of 5-(4-methylphenyl)-2,3-dihydro-1H-pyrrole (CID 101354597) is 5-(4-methylphenyl)-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for 5-(4-methylphenyl)-2,3-dihydro-1H-pyrrole?
The canonical SMILES for 5-(4-methylphenyl)-2,3-dihydro-1H-pyrrole is Cc1ccc(C2=CCCN2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-2,3-dihydro-1H-pyrrole?
The InChIKey is YGIDMKOAPUNGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N/c1-9-4-6-10(7-5-9)11-3-2-8-12-11/h3-7,12H,2,8H2,1H3.
What are the key properties of 5-(4-methylphenyl)-2,3-dihydro-1H-pyrrole?
5-(4-methylphenyl)-2,3-dihydro-1H-pyrrole has a molecular weight of 159.23 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 101354597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).