[(3S,8S)-3-(2-methylpropoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol

C13H25NO2 — CID 169254725

IUPAC[(3S,8S)-3-(2-methylpropoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
SMILESCC(C)COC[C@@H]1CC[C@]2(CO)CCCN12
InChIInChI=1S/C13H25NO2/c1-11(2)8-16-9-12-4-6-13(10-15)5-3-7-14(12)13/h11-12,15H,3-10H2,1-2H3/t12-,13-/m0/s1
InChIKeySLPRJRLJWWAQCE-STQMWFEESA-N
MW227.35 g/mol
LogP1.65
Rot. Bonds5

About [(3S,8S)-3-(2-methylpropoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol

[(3S,8S)-3-(2-methylpropoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol (PubChem CID 169254725) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is [(3S,8S)-3-(2-methylpropoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol.

Molecular Properties

Compound Name[(3S,8S)-3-(2-methylpropoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
PubChem CID169254725
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name[(3S,8S)-3-(2-methylpropoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
SMILESCC(C)COC[C@@H]1CC[C@]2(CO)CCCN12
InChIInChI=1S/C13H25NO2/c1-11(2)8-16-9-12-4-6-13(10-15)5-3-7-14(12)13/h11-12,15H,3-10H2,1-2H3/t12-,13-/m0/s1
InChIKeySLPRJRLJWWAQCE-STQMWFEESA-N
XLogP1.65
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3S,8S)-3-(2-methylpropoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol?
The IUPAC name of [(3S,8S)-3-(2-methylpropoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol (CID 169254725) is [(3S,8S)-3-(2-methylpropoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol.
What is the SMILES notation for [(3S,8S)-3-(2-methylpropoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol?
The canonical SMILES for [(3S,8S)-3-(2-methylpropoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol is CC(C)COC[C@@H]1CC[C@]2(CO)CCCN12.
What is the InChIKey of [(3S,8S)-3-(2-methylpropoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol?
The InChIKey is SLPRJRLJWWAQCE-STQMWFEESA-N. The full InChI is InChI=1S/C13H25NO2/c1-11(2)8-16-9-12-4-6-13(10-15)5-3-7-14(12)13/h11-12,15H,3-10H2,1-2H3/t12-,13-/m0/s1.
What are the key properties of [(3S,8S)-3-(2-methylpropoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol?
[(3S,8S)-3-(2-methylpropoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol has a molecular weight of 227.35 g/mol, XLogP of 1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,8S)-3-(2-methylpropoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol is sourced from PubChem (CID 169254725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).