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

C15H23N3 — CID 66209922

IUPAC4-ethyl-5-(2-pyridin-3-ylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCCC1C2CNCC2CN1CCc1cccnc1
InChIInChI=1S/C15H23N3/c1-2-15-14-10-17-9-13(14)11-18(15)7-5-12-4-3-6-16-8-12/h3-4,6,8,13-15,17H,2,5,7,9-11H2,1H3
InChIKeyHDGMGQCSCDVSPI-UHFFFAOYSA-N
MW245.37 g/mol
LogP1.55
Rot. Bonds4

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

4-ethyl-5-(2-pyridin-3-ylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 66209922) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-ethyl-5-(2-pyridin-3-ylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name4-ethyl-5-(2-pyridin-3-ylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID66209922
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name4-ethyl-5-(2-pyridin-3-ylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCCC1C2CNCC2CN1CCc1cccnc1
InChIInChI=1S/C15H23N3/c1-2-15-14-10-17-9-13(14)11-18(15)7-5-12-4-3-6-16-8-12/h3-4,6,8,13-15,17H,2,5,7,9-11H2,1H3
InChIKeyHDGMGQCSCDVSPI-UHFFFAOYSA-N
XLogP1.55
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

4-ethyl-5-(4-phenylbutyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 114334232
4-ethyl-5-(3-methyl-4-pyridinyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66208188
1-[2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]pyridin-2-one
CID 82907258
5-(3-chloro-4-pyridinyl)-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 79841510
8-[(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)methyl]quinoline
CID 66209459
5-[2-(3-bromophenoxy)ethyl]-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66208929
4-ethyl-5-[(3-propoxyphenyl)methyl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66208683
5-[[3-(difluoromethyl)phenyl]methyl]-4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 115527278
1-[2-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]imidazolidin-2-one
CID 66207390
4-ethyl-5-(furan-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66209069
5-cyclopropyl-2-propan-2-yl-1-(2-pyridin-3-ylethyl)piperazine
CID 64933236
5-tert-butyl-2-methyl-1-(2-pyridin-3-ylethyl)piperazine
CID 64934187

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-(2-pyridin-3-ylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 4-ethyl-5-(2-pyridin-3-ylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 66209922) is 4-ethyl-5-(2-pyridin-3-ylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 4-ethyl-5-(2-pyridin-3-ylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 4-ethyl-5-(2-pyridin-3-ylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is CCC1C2CNCC2CN1CCc1cccnc1.
What is the InChIKey of 4-ethyl-5-(2-pyridin-3-ylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is HDGMGQCSCDVSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-2-15-14-10-17-9-13(14)11-18(15)7-5-12-4-3-6-16-8-12/h3-4,6,8,13-15,17H,2,5,7,9-11H2,1H3.
What are the key properties of 4-ethyl-5-(2-pyridin-3-ylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
4-ethyl-5-(2-pyridin-3-ylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 245.37 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-(2-pyridin-3-ylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 66209922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).