[(3S,8S)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N,N-dimethylcarbamate

C12H22N2O2 — CID 170374647

IUPAC[(3S,8S)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OC[C@@H]1CC[C@]2(C)CCCN12
InChIInChI=1S/C12H22N2O2/c1-12-6-4-8-14(12)10(5-7-12)9-16-11(15)13(2)3/h10H,4-9H2,1-3H3/t10-,12-/m0/s1
InChIKeyAPRVGXRBIAPAPA-JQWIXIFHSA-N
MW226.32 g/mol
LogP1.70
Rot. Bonds2

About [(3S,8S)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N,N-dimethylcarbamate

[(3S,8S)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N,N-dimethylcarbamate (PubChem CID 170374647) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is [(3S,8S)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N,N-dimethylcarbamate.

Molecular Properties

Compound Name[(3S,8S)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N,N-dimethylcarbamate
PubChem CID170374647
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name[(3S,8S)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OC[C@@H]1CC[C@]2(C)CCCN12
InChIInChI=1S/C12H22N2O2/c1-12-6-4-8-14(12)10(5-7-12)9-16-11(15)13(2)3/h10H,4-9H2,1-3H3/t10-,12-/m0/s1
InChIKeyAPRVGXRBIAPAPA-JQWIXIFHSA-N
XLogP1.70
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3S,8S)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N,N-dimethylcarbamate?
The IUPAC name of [(3S,8S)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N,N-dimethylcarbamate (CID 170374647) is [(3S,8S)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N,N-dimethylcarbamate.
What is the SMILES notation for [(3S,8S)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N,N-dimethylcarbamate?
The canonical SMILES for [(3S,8S)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N,N-dimethylcarbamate is CN(C)C(=O)OC[C@@H]1CC[C@]2(C)CCCN12.
What is the InChIKey of [(3S,8S)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N,N-dimethylcarbamate?
The InChIKey is APRVGXRBIAPAPA-JQWIXIFHSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-12-6-4-8-14(12)10(5-7-12)9-16-11(15)13(2)3/h10H,4-9H2,1-3H3/t10-,12-/m0/s1.
What are the key properties of [(3S,8S)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N,N-dimethylcarbamate?
[(3S,8S)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N,N-dimethylcarbamate has a molecular weight of 226.32 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,8S)-8-methyl-1,2,3,5,6,7-hexahydropyrrolizin-3-yl]methyl N,N-dimethylcarbamate is sourced from PubChem (CID 170374647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).