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

C10H18N2O3 — CID 67756705

IUPACethyl (6-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl) carbonate
SMILESCCOC(=O)ON1CC2CCNC2C1C
InChIInChI=1S/C10H18N2O3/c1-3-14-10(13)15-12-6-8-4-5-11-9(8)7(12)2/h7-9,11H,3-6H2,1-2H3
InChIKeyBYKXWVHIXKASDU-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.76
Rot. Bonds2

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

ethyl (6-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl) carbonate (PubChem CID 67756705) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is ethyl (6-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl) carbonate.

Molecular Properties

Compound Nameethyl (6-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl) carbonate
PubChem CID67756705
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Nameethyl (6-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl) carbonate
SMILESCCOC(=O)ON1CC2CCNC2C1C
InChIInChI=1S/C10H18N2O3/c1-3-14-10(13)15-12-6-8-4-5-11-9(8)7(12)2/h7-9,11H,3-6H2,1-2H3
InChIKeyBYKXWVHIXKASDU-UHFFFAOYSA-N
XLogP0.76
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl (6-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl) carbonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl (6-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl) carbonate?
The IUPAC name of ethyl (6-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl) carbonate (CID 67756705) is ethyl (6-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl) carbonate.
What is the SMILES notation for ethyl (6-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl) carbonate?
The canonical SMILES for ethyl (6-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl) carbonate is CCOC(=O)ON1CC2CCNC2C1C.
What is the InChIKey of ethyl (6-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl) carbonate?
The InChIKey is BYKXWVHIXKASDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-3-14-10(13)15-12-6-8-4-5-11-9(8)7(12)2/h7-9,11H,3-6H2,1-2H3.
What are the key properties of ethyl (6-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl) carbonate?
ethyl (6-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl) carbonate has a molecular weight of 214.26 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (6-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl) carbonate is sourced from PubChem (CID 67756705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).