2-methoxy-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine

C11H21NO — CID 170689578

IUPAC2-methoxy-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCOC1CN2CCCC2(C(C)C)C1
InChIInChI=1S/C11H21NO/c1-9(2)11-5-4-6-12(11)8-10(7-11)13-3/h9-10H,4-8H2,1-3H3
InChIKeyWKHPKLBRZOCOIX-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.90
Rot. Bonds2

About 2-methoxy-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine

2-methoxy-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine (PubChem CID 170689578) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-methoxy-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine.

Molecular Properties

Compound Name2-methoxy-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine
PubChem CID170689578
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-methoxy-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine
SMILESCOC1CN2CCCC2(C(C)C)C1
InChIInChI=1S/C11H21NO/c1-9(2)11-5-4-6-12(11)8-10(7-11)13-3/h9-10H,4-8H2,1-3H3
InChIKeyWKHPKLBRZOCOIX-UHFFFAOYSA-N
XLogP1.90
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-5-propan-2-yl-1-azabicyclo[3.2.0]heptane
CID 170421734
ethane;(2R,8R)-2-methoxy-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 164904163
(2R,8S)-2-methoxy-8-propyl-1,2,3,5,6,7-hexahydropyrrolizine
CID 176951630
2-fluoro-8-(1-methoxyethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 170771511
ethane;[(2R,8S)-2-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
CID 164904001
2'-fluoro-8-propan-2-ylspiro[2,3,5,7-tetrahydro-1H-pyrrolizine-6,1'-cyclopropane]
CID 170421918
2-propan-2-yloxy-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 169289855
(2R,8S)-8-(1-ethoxyethyl)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizine;methane
CID 177009819
1-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethoxyphosphane;tungsten
CID 169041366
CID 175625806
CID 175625806
(2R,8S)-2-methyl-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 167196327
3-methyl-1-(4-propan-2-ylpiperidin-4-yl)piperidine
CID 165465526

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine?
The IUPAC name of 2-methoxy-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine (CID 170689578) is 2-methoxy-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine.
What is the SMILES notation for 2-methoxy-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine?
The canonical SMILES for 2-methoxy-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine is COC1CN2CCCC2(C(C)C)C1.
What is the InChIKey of 2-methoxy-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine?
The InChIKey is WKHPKLBRZOCOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9(2)11-5-4-6-12(11)8-10(7-11)13-3/h9-10H,4-8H2,1-3H3.
What are the key properties of 2-methoxy-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine?
2-methoxy-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine has a molecular weight of 183.29 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-8-propan-2-yl-1,2,3,5,6,7-hexahydropyrrolizine is sourced from PubChem (CID 170689578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).