4-methyl-5-prop-2-enylsulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

C10H18N2O2S — CID 79673911

IUPAC4-methyl-5-prop-2-enylsulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESC=CCS(=O)(=O)N1CC2CNCC2C1C
InChIInChI=1S/C10H18N2O2S/c1-3-4-15(13,14)12-7-9-5-11-6-10(9)8(12)2/h3,8-11H,1,4-7H2,2H3
InChIKeyMPKCZGRRQHAWDR-UHFFFAOYSA-N
MW230.33 g/mol
LogP0.04
Rot. Bonds3

About 4-methyl-5-prop-2-enylsulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

4-methyl-5-prop-2-enylsulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 79673911) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 4-methyl-5-prop-2-enylsulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name4-methyl-5-prop-2-enylsulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID79673911
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name4-methyl-5-prop-2-enylsulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESC=CCS(=O)(=O)N1CC2CNCC2C1C
InChIInChI=1S/C10H18N2O2S/c1-3-4-15(13,14)12-7-9-5-11-6-10(9)8(12)2/h3,8-11H,1,4-7H2,2H3
InChIKeyMPKCZGRRQHAWDR-UHFFFAOYSA-N
XLogP0.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-methyl-5-prop-2-enylsulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 4-methyl-5-prop-2-enylsulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 79673911) is 4-methyl-5-prop-2-enylsulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 4-methyl-5-prop-2-enylsulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 4-methyl-5-prop-2-enylsulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is C=CCS(=O)(=O)N1CC2CNCC2C1C.
What is the InChIKey of 4-methyl-5-prop-2-enylsulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is MPKCZGRRQHAWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-3-4-15(13,14)12-7-9-5-11-6-10(9)8(12)2/h3,8-11H,1,4-7H2,2H3.
What are the key properties of 4-methyl-5-prop-2-enylsulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
4-methyl-5-prop-2-enylsulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 230.33 g/mol, XLogP of 0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-prop-2-enylsulfonyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 79673911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).