1-[4,5-bis(ethenyl)-2,3-dihydropyrrol-1-yl]ethanone

C10H13NO — CID 143484925

IUPAC1-[4,5-bis(ethenyl)-2,3-dihydropyrrol-1-yl]ethanone
SMILESC=CC1=C(C=C)N(C(C)=O)CC1
InChIInChI=1S/C10H13NO/c1-4-9-6-7-11(8(3)12)10(9)5-2/h4-5H,1-2,6-7H2,3H3
InChIKeySDDDSKRZMWNYLW-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.86
Rot. Bonds2

About 1-[4,5-bis(ethenyl)-2,3-dihydropyrrol-1-yl]ethanone

1-[4,5-bis(ethenyl)-2,3-dihydropyrrol-1-yl]ethanone (PubChem CID 143484925) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 1-[4,5-bis(ethenyl)-2,3-dihydropyrrol-1-yl]ethanone.

Molecular Properties

Compound Name1-[4,5-bis(ethenyl)-2,3-dihydropyrrol-1-yl]ethanone
PubChem CID143484925
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name1-[4,5-bis(ethenyl)-2,3-dihydropyrrol-1-yl]ethanone
SMILESC=CC1=C(C=C)N(C(C)=O)CC1
InChIInChI=1S/C10H13NO/c1-4-9-6-7-11(8(3)12)10(9)5-2/h4-5H,1-2,6-7H2,3H3
InChIKeySDDDSKRZMWNYLW-UHFFFAOYSA-N
XLogP1.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4,5-bis(ethenyl)-2,3-dihydropyrrol-1-yl]ethanone?
The IUPAC name of 1-[4,5-bis(ethenyl)-2,3-dihydropyrrol-1-yl]ethanone (CID 143484925) is 1-[4,5-bis(ethenyl)-2,3-dihydropyrrol-1-yl]ethanone.
What is the SMILES notation for 1-[4,5-bis(ethenyl)-2,3-dihydropyrrol-1-yl]ethanone?
The canonical SMILES for 1-[4,5-bis(ethenyl)-2,3-dihydropyrrol-1-yl]ethanone is C=CC1=C(C=C)N(C(C)=O)CC1.
What is the InChIKey of 1-[4,5-bis(ethenyl)-2,3-dihydropyrrol-1-yl]ethanone?
The InChIKey is SDDDSKRZMWNYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-4-9-6-7-11(8(3)12)10(9)5-2/h4-5H,1-2,6-7H2,3H3.
What are the key properties of 1-[4,5-bis(ethenyl)-2,3-dihydropyrrol-1-yl]ethanone?
1-[4,5-bis(ethenyl)-2,3-dihydropyrrol-1-yl]ethanone has a molecular weight of 163.22 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,5-bis(ethenyl)-2,3-dihydropyrrol-1-yl]ethanone is sourced from PubChem (CID 143484925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).