(2R,8S)-2-methoxy-8-propyl-1,2,3,5,6,7-hexahydropyrrolizine

C11H21NO — CID 176951630

IUPAC(2R,8S)-2-methoxy-8-propyl-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCCC[C@@]12CCCN1C[C@H](OC)C2
InChIInChI=1S/C11H21NO/c1-3-5-11-6-4-7-12(11)9-10(8-11)13-2/h10H,3-9H2,1-2H3/t10-,11+/m1/s1
InChIKeyYINDFFNFEZTPLX-MNOVXSKESA-N
MW183.29 g/mol
LogP2.04
Rot. Bonds3

About (2R,8S)-2-methoxy-8-propyl-1,2,3,5,6,7-hexahydropyrrolizine

(2R,8S)-2-methoxy-8-propyl-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 176951630) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (2R,8S)-2-methoxy-8-propyl-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name(2R,8S)-2-methoxy-8-propyl-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID176951630
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(2R,8S)-2-methoxy-8-propyl-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCCC[C@@]12CCCN1C[C@H](OC)C2
InChIInChI=1S/C11H21NO/c1-3-5-11-6-4-7-12(11)9-10(8-11)13-2/h10H,3-9H2,1-2H3/t10-,11+/m1/s1
InChIKeyYINDFFNFEZTPLX-MNOVXSKESA-N
XLogP2.04
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;(2R,8R)-2-methoxy-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 164904163
ethane;[(2R,8S)-2-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
CID 164904001
2-methoxy-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine
CID 170689578
2-propan-2-yloxy-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 169289855
[1-(3-ethylpyrrolidin-1-yl)-3-methoxycyclohexyl]methanamine
CID 106872732
[1-(3-methoxyazetidin-1-yl)cyclopentyl]methanamine
CID 130546872
[(2S,8R)-2-[tert-butyl(dimethyl)silyl]oxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
CID 164521802
methyl 3-[[8-(hydroxymethyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]oxy]propanoate
CID 166137248
(2R,8R)-2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 164903949
(2S,8R)-2-fluoro-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 164878427
(2R,8R)-8-ethyl-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine
CID 163256465
[1-(3-methoxypiperidin-1-yl)-4-methylcycloheptyl]methanamine
CID 102965147

Frequently Asked Questions

What is the IUPAC name of (2R,8S)-2-methoxy-8-propyl-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of (2R,8S)-2-methoxy-8-propyl-1,2,3,5,6,7-hexahydropyrrolizine (CID 176951630) is (2R,8S)-2-methoxy-8-propyl-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for (2R,8S)-2-methoxy-8-propyl-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for (2R,8S)-2-methoxy-8-propyl-1,2,3,5,6,7-hexahydropyrrolizine is CCC[C@@]12CCCN1C[C@H](OC)C2.
What is the InChIKey of (2R,8S)-2-methoxy-8-propyl-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is YINDFFNFEZTPLX-MNOVXSKESA-N. The full InChI is InChI=1S/C11H21NO/c1-3-5-11-6-4-7-12(11)9-10(8-11)13-2/h10H,3-9H2,1-2H3/t10-,11+/m1/s1.
What are the key properties of (2R,8S)-2-methoxy-8-propyl-1,2,3,5,6,7-hexahydropyrrolizine?
(2R,8S)-2-methoxy-8-propyl-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 183.29 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,8S)-2-methoxy-8-propyl-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 176951630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).