ethane;[(2R,8S)-2-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol

C11H23NO2 — CID 164904001

IUPACethane;[(2R,8S)-2-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
SMILESCC.CO[C@H]1CN2CCC[C@@]2(CO)C1
InChIInChI=1S/C9H17NO2.C2H6/c1-12-8-5-9(7-11)3-2-4-10(9)6-8;1-2/h8,11H,2-7H2,1H3;1-2H3/t8-,9+;/m1./s1
InChIKeyYMVAAWNXUBINQM-RJUBDTSPSA-N
MW201.31 g/mol
LogP1.26
Rot. Bonds2

About ethane;[(2R,8S)-2-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol

ethane;[(2R,8S)-2-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol (PubChem CID 164904001) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is ethane;[(2R,8S)-2-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol.

Molecular Properties

Compound Nameethane;[(2R,8S)-2-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
PubChem CID164904001
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Nameethane;[(2R,8S)-2-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
SMILESCC.CO[C@H]1CN2CCC[C@@]2(CO)C1
InChIInChI=1S/C9H17NO2.C2H6/c1-12-8-5-9(7-11)3-2-4-10(9)6-8;1-2/h8,11H,2-7H2,1H3;1-2H3/t8-,9+;/m1./s1
InChIKeyYMVAAWNXUBINQM-RJUBDTSPSA-N
XLogP1.26
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;[(2R,8S)-2-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol?
The IUPAC name of ethane;[(2R,8S)-2-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol (CID 164904001) is ethane;[(2R,8S)-2-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol.
What is the SMILES notation for ethane;[(2R,8S)-2-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol?
The canonical SMILES for ethane;[(2R,8S)-2-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol is CC.CO[C@H]1CN2CCC[C@@]2(CO)C1.
What is the InChIKey of ethane;[(2R,8S)-2-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol?
The InChIKey is YMVAAWNXUBINQM-RJUBDTSPSA-N. The full InChI is InChI=1S/C9H17NO2.C2H6/c1-12-8-5-9(7-11)3-2-4-10(9)6-8;1-2/h8,11H,2-7H2,1H3;1-2H3/t8-,9+;/m1./s1.
What are the key properties of ethane;[(2R,8S)-2-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol?
ethane;[(2R,8S)-2-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol has a molecular weight of 201.31 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[(2R,8S)-2-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol is sourced from PubChem (CID 164904001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).