4,5-bis(ethenyl)-2-phenyl-2,3-dihydro-1H-pyrrole;ethane

C16H21N — CID 145430891

IUPAC4,5-bis(ethenyl)-2-phenyl-2,3-dihydro-1H-pyrrole;ethane
SMILESC=CC1=C(C=C)NC(c2ccccc2)C1.CC
InChIInChI=1S/C14H15N.C2H6/c1-3-11-10-14(15-13(11)4-2)12-8-6-5-7-9-12;1-2/h3-9,14-15H,1-2,10H2;1-2H3
InChIKeyAXIULGGVSXTFHU-UHFFFAOYSA-N
MW227.35 g/mol
LogP4.37
Rot. Bonds3

About 4,5-bis(ethenyl)-2-phenyl-2,3-dihydro-1H-pyrrole;ethane

4,5-bis(ethenyl)-2-phenyl-2,3-dihydro-1H-pyrrole;ethane (PubChem CID 145430891) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is 4,5-bis(ethenyl)-2-phenyl-2,3-dihydro-1H-pyrrole;ethane.

Molecular Properties

Compound Name4,5-bis(ethenyl)-2-phenyl-2,3-dihydro-1H-pyrrole;ethane
PubChem CID145430891
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC Name4,5-bis(ethenyl)-2-phenyl-2,3-dihydro-1H-pyrrole;ethane
SMILESC=CC1=C(C=C)NC(c2ccccc2)C1.CC
InChIInChI=1S/C14H15N.C2H6/c1-3-11-10-14(15-13(11)4-2)12-8-6-5-7-9-12;1-2/h3-9,14-15H,1-2,10H2;1-2H3
InChIKeyAXIULGGVSXTFHU-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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methyl (2S)-4,5-bis(ethenyl)-2,3-dihydro-1H-pyrrole-2-carboxylate
CID 126722990
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CID 10997356
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CID 5340070
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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(ethenyl)-2-phenyl-2,3-dihydro-1H-pyrrole;ethane?
The IUPAC name of 4,5-bis(ethenyl)-2-phenyl-2,3-dihydro-1H-pyrrole;ethane (CID 145430891) is 4,5-bis(ethenyl)-2-phenyl-2,3-dihydro-1H-pyrrole;ethane.
What is the SMILES notation for 4,5-bis(ethenyl)-2-phenyl-2,3-dihydro-1H-pyrrole;ethane?
The canonical SMILES for 4,5-bis(ethenyl)-2-phenyl-2,3-dihydro-1H-pyrrole;ethane is C=CC1=C(C=C)NC(c2ccccc2)C1.CC.
What is the InChIKey of 4,5-bis(ethenyl)-2-phenyl-2,3-dihydro-1H-pyrrole;ethane?
The InChIKey is AXIULGGVSXTFHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N.C2H6/c1-3-11-10-14(15-13(11)4-2)12-8-6-5-7-9-12;1-2/h3-9,14-15H,1-2,10H2;1-2H3.
What are the key properties of 4,5-bis(ethenyl)-2-phenyl-2,3-dihydro-1H-pyrrole;ethane?
4,5-bis(ethenyl)-2-phenyl-2,3-dihydro-1H-pyrrole;ethane has a molecular weight of 227.35 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(ethenyl)-2-phenyl-2,3-dihydro-1H-pyrrole;ethane is sourced from PubChem (CID 145430891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).