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

C9H13N3 — CID 22090025

IUPAC2-[1-(2,3-dihydro-1H-pyrrol-5-yl)ethenyl]-4,5-dihydro-1H-imidazole
SMILESC=C(C1=CCCN1)C1=NCCN1
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)
InChIKeyQIGZYGLDRFJFSI-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.42
Rot. Bonds2

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

2-[1-(2,3-dihydro-1H-pyrrol-5-yl)ethenyl]-4,5-dihydro-1H-imidazole (PubChem CID 22090025) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-[1-(2,3-dihydro-1H-pyrrol-5-yl)ethenyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[1-(2,3-dihydro-1H-pyrrol-5-yl)ethenyl]-4,5-dihydro-1H-imidazole
PubChem CID22090025
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name2-[1-(2,3-dihydro-1H-pyrrol-5-yl)ethenyl]-4,5-dihydro-1H-imidazole
SMILESC=C(C1=CCCN1)C1=NCCN1
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)
InChIKeyQIGZYGLDRFJFSI-UHFFFAOYSA-N
XLogP0.42
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,6,12-Triazatricyclo[6.4.0.02,6]dodeca-1(8),2,9-triene
CID 20140577
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-[1-(2,3-dihydro-1H-pyrrol-5-yl)ethenyl]-4,5-dihydro-1H-imidazol-3-ium
CID 22090024
2-(2,3-dihydro-1H-pyrrol-5-ylmethyl)-4,5-dihydro-1H-imidazol-3-ium
CID 22090056
5-Methyl-2,6-dihydropyrrolo[2,3-b]pyrrole
CID 70640497
2-(4-methylpenta-1,3-dien-2-yl)-4,5-dihydro-1H-imidazole
CID 90077005
(3Z)-N,5-dimethyl-3-propylidene-1H-pyrrol-2-imine
CID 137291304
N-[(1S)-1-[(4E,5E)-4-ethylidene-5-propylidene-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 166703689
(3Z)-N-ethyl-5-methyl-3-propylidene-1H-pyrrol-2-imine
CID 166762406
ethane;(1E)-1-[(5E)-5-ethylidene-2-propan-2-yl-1H-imidazol-4-ylidene]-N,2-dimethylpropan-1-amine
CID 171089858
2-[3-(4,5-dihydro-1H-imidazol-2-yl)benzene-2-id-1-yl]-4,5-dihydro-1H-imidazole
CID 102575042

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dihydro-1H-pyrrol-5-yl)ethenyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[1-(2,3-dihydro-1H-pyrrol-5-yl)ethenyl]-4,5-dihydro-1H-imidazole (CID 22090025) is 2-[1-(2,3-dihydro-1H-pyrrol-5-yl)ethenyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[1-(2,3-dihydro-1H-pyrrol-5-yl)ethenyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[1-(2,3-dihydro-1H-pyrrol-5-yl)ethenyl]-4,5-dihydro-1H-imidazole is C=C(C1=CCCN1)C1=NCCN1.
What is the InChIKey of 2-[1-(2,3-dihydro-1H-pyrrol-5-yl)ethenyl]-4,5-dihydro-1H-imidazole?
The InChIKey is QIGZYGLDRFJFSI-UHFFFAOYSA-N. 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).
What are the key properties of 2-[1-(2,3-dihydro-1H-pyrrol-5-yl)ethenyl]-4,5-dihydro-1H-imidazole?
2-[1-(2,3-dihydro-1H-pyrrol-5-yl)ethenyl]-4,5-dihydro-1H-imidazole has a molecular weight of 163.22 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 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-imidazole is sourced from PubChem (CID 22090025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).