2-(cyclohexen-1-yl)-1-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanone

C16H26N2O — CID 66207750

IUPAC2-(cyclohexen-1-yl)-1-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanone
SMILESCCC1C2CNCC2CN1C(=O)CC1=CCCCC1
InChIInChI=1S/C16H26N2O/c1-2-15-14-10-17-9-13(14)11-18(15)16(19)8-12-6-4-3-5-7-12/h6,13-15,17H,2-5,7-11H2,1H3
InChIKeyCNDQFPLLXCLVFG-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.33
Rot. Bonds3

About 2-(cyclohexen-1-yl)-1-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanone

2-(cyclohexen-1-yl)-1-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanone (PubChem CID 66207750) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-1-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanone.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-1-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanone
PubChem CID66207750
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name2-(cyclohexen-1-yl)-1-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanone
SMILESCCC1C2CNCC2CN1C(=O)CC1=CCCCC1
InChIInChI=1S/C16H26N2O/c1-2-15-14-10-17-9-13(14)11-18(15)16(19)8-12-6-4-3-5-7-12/h6,13-15,17H,2-5,7-11H2,1H3
InChIKeyCNDQFPLLXCLVFG-UHFFFAOYSA-N
XLogP2.33
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexen-1-yl)-1-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanone?
The IUPAC name of 2-(cyclohexen-1-yl)-1-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanone (CID 66207750) is 2-(cyclohexen-1-yl)-1-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanone.
What is the SMILES notation for 2-(cyclohexen-1-yl)-1-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanone?
The canonical SMILES for 2-(cyclohexen-1-yl)-1-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanone is CCC1C2CNCC2CN1C(=O)CC1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-1-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanone?
The InChIKey is CNDQFPLLXCLVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-2-15-14-10-17-9-13(14)11-18(15)16(19)8-12-6-4-3-5-7-12/h6,13-15,17H,2-5,7-11H2,1H3.
What are the key properties of 2-(cyclohexen-1-yl)-1-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanone?
2-(cyclohexen-1-yl)-1-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanone has a molecular weight of 262.40 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-1-(4-ethyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanone is sourced from PubChem (CID 66207750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).