4-ethyl-5-(2-imidazol-1-ylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

C13H22N4 — CID 66207385

IUPAC4-ethyl-5-(2-imidazol-1-ylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCCC1C2CNCC2CN1CCn1ccnc1
InChIInChI=1S/C13H22N4/c1-2-13-12-8-15-7-11(12)9-17(13)6-5-16-4-3-14-10-16/h3-4,10-13,15H,2,5-9H2,1H3
InChIKeyLXCUPFMQXYWVFF-UHFFFAOYSA-N
MW234.35 g/mol
LogP0.81
Rot. Bonds4

About 4-ethyl-5-(2-imidazol-1-ylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

4-ethyl-5-(2-imidazol-1-ylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 66207385) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 4-ethyl-5-(2-imidazol-1-ylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name4-ethyl-5-(2-imidazol-1-ylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID66207385
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name4-ethyl-5-(2-imidazol-1-ylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCCC1C2CNCC2CN1CCn1ccnc1
InChIInChI=1S/C13H22N4/c1-2-13-12-8-15-7-11(12)9-17(13)6-5-16-4-3-14-10-16/h3-4,10-13,15H,2,5-9H2,1H3
InChIKeyLXCUPFMQXYWVFF-UHFFFAOYSA-N
XLogP0.81
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-5-[(3-methylimidazol-4-yl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66209062
4-ethyl-5-[2-(2-methylpyrazol-3-yl)ethyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 103005279
5-(2-imidazol-1-ylethyl)-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66244620
2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanesulfonamide
CID 114385495
4-ethyl-5-(4-phenylbutyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 114334232
1-(2-imidazol-1-ylethyl)-2-methylpiperazine
CID 62672995
1-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)butan-2-ol
CID 66208369
5-(3-imidazol-1-ylpropyl)-4,4-dimethyl-1,2,3,3a,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 66244413
N-carbamoyl-3-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)propanamide
CID 66208763
(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-(1-methylpyrazol-3-yl)methanone
CID 103120926
5-[(4-chloro-2-pyridinyl)methyl]-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 79255205
5-[(4-bromophenyl)methyl]-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66209462

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(2-imidazol-1-ylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 4-ethyl-5-(2-imidazol-1-ylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 66207385) is 4-ethyl-5-(2-imidazol-1-ylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 4-ethyl-5-(2-imidazol-1-ylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 4-ethyl-5-(2-imidazol-1-ylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is CCC1C2CNCC2CN1CCn1ccnc1.
What is the InChIKey of 4-ethyl-5-(2-imidazol-1-ylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is LXCUPFMQXYWVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-2-13-12-8-15-7-11(12)9-17(13)6-5-16-4-3-14-10-16/h3-4,10-13,15H,2,5-9H2,1H3.
What are the key properties of 4-ethyl-5-(2-imidazol-1-ylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
4-ethyl-5-(2-imidazol-1-ylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 234.35 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(2-imidazol-1-ylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 66207385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).