ethane;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;methyl N-methylcarbamate

C16H36N2O3 — CID 166533544

IUPACethane;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;methyl N-methylcarbamate
SMILESCC.CC.CNC(=O)OC.COCC12CCCN1CCC2
InChIInChI=1S/C9H17NO.C3H7NO2.2C2H6/c1-11-8-9-4-2-6-10(9)7-3-5-9;1-4-3(5)6-2;2*1-2/h2-8H2,1H3;1-2H3,(H,4,5);2*1-2H3
InChIKeyBPGXSZLHMWYAHS-UHFFFAOYSA-N
MW304.48 g/mol
LogP3.29
Rot. Bonds2

About ethane;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;methyl N-methylcarbamate

ethane;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;methyl N-methylcarbamate (PubChem CID 166533544) has the molecular formula C16H36N2O3 and a molecular weight of 304.48 g/mol. Its IUPAC name is ethane;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;methyl N-methylcarbamate.

Molecular Properties

Compound Nameethane;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;methyl N-methylcarbamate
PubChem CID166533544
Molecular FormulaC16H36N2O3
Molecular Weight304.48 g/mol
Exact Mass304.27
IUPAC Nameethane;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;methyl N-methylcarbamate
SMILESCC.CC.CNC(=O)OC.COCC12CCCN1CCC2
InChIInChI=1S/C9H17NO.C3H7NO2.2C2H6/c1-11-8-9-4-2-6-10(9)7-3-5-9;1-4-3(5)6-2;2*1-2/h2-8H2,1H3;1-2H3,(H,4,5);2*1-2H3
InChIKeyBPGXSZLHMWYAHS-UHFFFAOYSA-N
XLogP3.29
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;methyl N-methylcarbamate?
The IUPAC name of ethane;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;methyl N-methylcarbamate (CID 166533544) is ethane;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;methyl N-methylcarbamate.
What is the SMILES notation for ethane;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;methyl N-methylcarbamate?
The canonical SMILES for ethane;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;methyl N-methylcarbamate is CC.CC.CNC(=O)OC.COCC12CCCN1CCC2.
What is the InChIKey of ethane;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;methyl N-methylcarbamate?
The InChIKey is BPGXSZLHMWYAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.C3H7NO2.2C2H6/c1-11-8-9-4-2-6-10(9)7-3-5-9;1-4-3(5)6-2;2*1-2/h2-8H2,1H3;1-2H3,(H,4,5);2*1-2H3.
What are the key properties of ethane;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;methyl N-methylcarbamate?
ethane;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;methyl N-methylcarbamate has a molecular weight of 304.48 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine;methyl N-methylcarbamate is sourced from PubChem (CID 166533544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).