1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;methane

C9H19NO — CID 164534379

IUPAC1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;methane
SMILESC.OCC12CCCN1CCC2
InChIInChI=1S/C8H15NO.CH4/c10-7-8-3-1-5-9(8)6-2-4-8;/h10H,1-7H2;1H4
InChIKeyHPUWIADAVMUUBA-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.24
Rot. Bonds1

About 1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;methane

1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;methane (PubChem CID 164534379) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;methane.

Molecular Properties

Compound Name1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;methane
PubChem CID164534379
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;methane
SMILESC.OCC12CCCN1CCC2
InChIInChI=1S/C8H15NO.CH4/c10-7-8-3-1-5-9(8)6-2-4-8;/h10H,1-7H2;1H4
InChIKeyHPUWIADAVMUUBA-UHFFFAOYSA-N
XLogP1.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(hexahydro-1H-pyrrolizin-7a-yl)methanol
CID 10844475
((2R,7aS)-2-Fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl)methanol
CID 118109097
(2-Ethyl-1-methylpyrrolidin-2-yl)methanol
CID 71757811
Retronecanol
CID 11815460
((2S,7AR)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl)methanol
CID 118109098
[(2R,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanol
CID 118109100
((2S,7AS)-2-Fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl)methanol
CID 118109101
(2,2-Difluoro-hexahydro-1H-pyrrolizin-7a-yl)methanol
CID 118109123
(2-Fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl)methanol
CID 118121031
(2-Fluoro-2-methyltetrahydro-1H-pyrrolizin-7a(5H)-yl)methanol
CID 137419734
((2R,7aR)-2-Fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl)methanol
CID 146014107
(3-(Fluoromethyl)tetrahydro-1H-pyrrolizin-7a(5H)-yl)methanol
CID 154644059

Frequently Asked Questions

What is the IUPAC name of 1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;methane?
The IUPAC name of 1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;methane (CID 164534379) is 1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;methane.
What is the SMILES notation for 1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;methane?
The canonical SMILES for 1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;methane is C.OCC12CCCN1CCC2.
What is the InChIKey of 1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;methane?
The InChIKey is HPUWIADAVMUUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.CH4/c10-7-8-3-1-5-9(8)6-2-4-8;/h10H,1-7H2;1H4.
What are the key properties of 1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;methane?
1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;methane has a molecular weight of 157.26 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethanol;methane is sourced from PubChem (CID 164534379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).