5-(2-phenylethyl)-3,4-dihydro-2H-pyrrole

C12H15N — CID 10954004

IUPAC5-(2-phenylethyl)-3,4-dihydro-2H-pyrrole
SMILESc1ccc(CCC2=NCCC2)cc1
InChIInChI=1S/C12H15N/c1-2-5-11(6-3-1)8-9-12-7-4-10-13-12/h1-3,5-6H,4,7-10H2
InChIKeyLMOCCHAUIOQNBB-UHFFFAOYSA-N
MW173.26 g/mol
LogP2.85
Rot. Bonds3

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

5-(2-phenylethyl)-3,4-dihydro-2H-pyrrole (PubChem CID 10954004) has the molecular formula C12H15N and a molecular weight of 173.26 g/mol. Its IUPAC name is 5-(2-phenylethyl)-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-(2-phenylethyl)-3,4-dihydro-2H-pyrrole
PubChem CID10954004
Molecular FormulaC12H15N
Molecular Weight173.26 g/mol
Exact Mass173.12
IUPAC Name5-(2-phenylethyl)-3,4-dihydro-2H-pyrrole
SMILESc1ccc(CCC2=NCCC2)cc1
InChIInChI=1S/C12H15N/c1-2-5-11(6-3-1)8-9-12-7-4-10-13-12/h1-3,5-6H,4,7-10H2
InChIKeyLMOCCHAUIOQNBB-UHFFFAOYSA-N
XLogP2.85
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2-phenylethyl)-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-(2-phenylethyl)-3,4-dihydro-2H-pyrrole (CID 10954004) is 5-(2-phenylethyl)-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-(2-phenylethyl)-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-(2-phenylethyl)-3,4-dihydro-2H-pyrrole is c1ccc(CCC2=NCCC2)cc1.
What is the InChIKey of 5-(2-phenylethyl)-3,4-dihydro-2H-pyrrole?
The InChIKey is LMOCCHAUIOQNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N/c1-2-5-11(6-3-1)8-9-12-7-4-10-13-12/h1-3,5-6H,4,7-10H2.
What are the key properties of 5-(2-phenylethyl)-3,4-dihydro-2H-pyrrole?
5-(2-phenylethyl)-3,4-dihydro-2H-pyrrole has a molecular weight of 173.26 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-phenylethyl)-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 10954004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).