5-cyclopropyl-2-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrrole

C15H17N — CID 102108746

IUPAC5-cyclopropyl-2-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrrole
SMILESC(=C/C1CCC(C2CC2)=N1)\c1ccccc1
InChIInChI=1S/C15H17N/c1-2-4-12(5-3-1)6-9-14-10-11-15(16-14)13-7-8-13/h1-6,9,13-14H,7-8,10-11H2/b9-6+
InChIKeyUQMIUHYVTRDTAR-RMKNXTFCSA-N
MW211.31 g/mol
LogP3.71
Rot. Bonds3

About 5-cyclopropyl-2-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrrole

5-cyclopropyl-2-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrrole (PubChem CID 102108746) has the molecular formula C15H17N and a molecular weight of 211.31 g/mol. Its IUPAC name is 5-cyclopropyl-2-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-cyclopropyl-2-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrrole
PubChem CID102108746
Molecular FormulaC15H17N
Molecular Weight211.31 g/mol
Exact Mass211.14
IUPAC Name5-cyclopropyl-2-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrrole
SMILESC(=C/C1CCC(C2CC2)=N1)\c1ccccc1
InChIInChI=1S/C15H17N/c1-2-4-12(5-3-1)6-9-14-10-11-15(16-14)13-7-8-13/h1-6,9,13-14H,7-8,10-11H2/b9-6+
InChIKeyUQMIUHYVTRDTAR-RMKNXTFCSA-N
XLogP3.71
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(E)-2-phenylethenyl]cyclobutan-1-one
CID 131241395
trimethyl-[3-[(Z)-2-phenylethenyl]cyclopenten-1-yl]oxysilane
CID 15448421
2-phenyl-5-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrrole
CID 11334122
(2S,6R)-2-(2-phenylethenyl)-6-[(E)-2-phenylethenyl]piperidine
CID 69201329
[(E)-2-cyclopent-2-en-1-ylethenyl]benzene
CID 14358727
2-[(E)-2-phenylethenyl]cyclopropan-1-one
CID 141437037
3-[(E)-2-phenylethenyl]oxetane
CID 132578776
2-[(E)-2-phenylethenyl]cyclopropan-1-amine
CID 122640920
(4R)-4-(2-phenylethenyl)-1,3-oxazolidin-2-one
CID 69253686
2-(2-phenylethenyl)pyrrolidine
CID 3705120
2-[(E)-2-phenylethenyl]thiolane
CID 175715448
2-[(E)-2-phenylethenyl]cyclopropan-1-amine;hydrochloride
CID 122640919

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-cyclopropyl-2-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrrole (CID 102108746) is 5-cyclopropyl-2-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-cyclopropyl-2-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-cyclopropyl-2-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrrole is C(=C/C1CCC(C2CC2)=N1)\c1ccccc1.
What is the InChIKey of 5-cyclopropyl-2-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrrole?
The InChIKey is UQMIUHYVTRDTAR-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H17N/c1-2-4-12(5-3-1)6-9-14-10-11-15(16-14)13-7-8-13/h1-6,9,13-14H,7-8,10-11H2/b9-6+.
What are the key properties of 5-cyclopropyl-2-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrrole?
5-cyclopropyl-2-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrrole has a molecular weight of 211.31 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-[(E)-2-phenylethenyl]-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 102108746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).