2-[1-(2,3-dihydro-1H-pyrrol-5-yl)ethenyl]-4,5-dihydro-1H-imidazol-3-ium

C9H14N3+ — CID 22090024

IUPAC2-[1-(2,3-dihydro-1H-pyrrol-5-yl)ethenyl]-4,5-dihydro-1H-imidazol-3-ium
SMILESC=C(C1=CCCN1)C1=[NH+]CCN1
InChIInChI=1S/C9H13N3/c1-7(8-3-2-4-10-8)9-11-5-6-12-9/h3,10H,1-2,4-6H2,(H,11,12)/p+1
InChIKeyQIGZYGLDRFJFSI-UHFFFAOYSA-O
MW164.23 g/mol
LogP-1.50
Rot. Bonds2

About 2-[1-(2,3-dihydro-1H-pyrrol-5-yl)ethenyl]-4,5-dihydro-1H-imidazol-3-ium

2-[1-(2,3-dihydro-1H-pyrrol-5-yl)ethenyl]-4,5-dihydro-1H-imidazol-3-ium (PubChem CID 22090024) has the molecular formula C9H14N3+ and a molecular weight of 164.23 g/mol. Its IUPAC name is 2-[1-(2,3-dihydro-1H-pyrrol-5-yl)ethenyl]-4,5-dihydro-1H-imidazol-3-ium.

Molecular Properties

Compound Name2-[1-(2,3-dihydro-1H-pyrrol-5-yl)ethenyl]-4,5-dihydro-1H-imidazol-3-ium
PubChem CID22090024
Molecular FormulaC9H14N3+
Molecular Weight164.23 g/mol
Exact Mass164.12
IUPAC Name2-[1-(2,3-dihydro-1H-pyrrol-5-yl)ethenyl]-4,5-dihydro-1H-imidazol-3-ium
SMILESC=C(C1=CCCN1)C1=[NH+]CCN1
InChIInChI=1S/C9H13N3/c1-7(8-3-2-4-10-8)9-11-5-6-12-9/h3,10H,1-2,4-6H2,(H,11,12)/p+1
InChIKeyQIGZYGLDRFJFSI-UHFFFAOYSA-O
XLogP-1.50
TPSA38.03 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 5-1.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-dihydro-1H-pyrrol-5-ylmethyl)-4,5-dihydro-1H-imidazole
CID 20692443
[5-[1-[3-(hydroxymethyl)-4,5-dihydro-1H-imidazol-3-ium-2-yl]ethenyl]-2,3-dihydropyrrol-1-yl]methanol
CID 22090023
2-(2,3-dihydro-1H-pyrrol-5-ylmethyl)-4,5-dihydro-1H-imidazol-3-ium
CID 22090056
2-(4-methylpenta-1,3-dien-2-yl)-4,5-dihydro-1H-imidazole
CID 90077005
2-[1-(2,3-dihydro-1H-pyrrol-5-yl)ethenyl]-4,5-dihydro-1H-imidazole
CID 22090025

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dihydro-1H-pyrrol-5-yl)ethenyl]-4,5-dihydro-1H-imidazol-3-ium?
The IUPAC name of 2-[1-(2,3-dihydro-1H-pyrrol-5-yl)ethenyl]-4,5-dihydro-1H-imidazol-3-ium (CID 22090024) is 2-[1-(2,3-dihydro-1H-pyrrol-5-yl)ethenyl]-4,5-dihydro-1H-imidazol-3-ium.
What is the SMILES notation for 2-[1-(2,3-dihydro-1H-pyrrol-5-yl)ethenyl]-4,5-dihydro-1H-imidazol-3-ium?
The canonical SMILES for 2-[1-(2,3-dihydro-1H-pyrrol-5-yl)ethenyl]-4,5-dihydro-1H-imidazol-3-ium is C=C(C1=CCCN1)C1=[NH+]CCN1.
What is the InChIKey of 2-[1-(2,3-dihydro-1H-pyrrol-5-yl)ethenyl]-4,5-dihydro-1H-imidazol-3-ium?
The InChIKey is QIGZYGLDRFJFSI-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H13N3/c1-7(8-3-2-4-10-8)9-11-5-6-12-9/h3,10H,1-2,4-6H2,(H,11,12)/p+1.
What are the key properties of 2-[1-(2,3-dihydro-1H-pyrrol-5-yl)ethenyl]-4,5-dihydro-1H-imidazol-3-ium?
2-[1-(2,3-dihydro-1H-pyrrol-5-yl)ethenyl]-4,5-dihydro-1H-imidazol-3-ium has a molecular weight of 164.23 g/mol, XLogP of -1.50, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dihydro-1H-pyrrol-5-yl)ethenyl]-4,5-dihydro-1H-imidazol-3-ium is sourced from PubChem (CID 22090024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).