(5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)methanol

C9H17NO — CID 13013227

IUPAC(5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)methanol
SMILESCC1CCC2CCC(CO)N12
InChIInChI=1S/C9H17NO/c1-7-2-3-8-4-5-9(6-11)10(7)8/h7-9,11H,2-6H2,1H3
InChIKeyQURAJGWAVMYSQF-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.99
Rot. Bonds1

About (5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)methanol

(5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)methanol (PubChem CID 13013227) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)methanol.

Molecular Properties

Compound Name(5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)methanol
PubChem CID13013227
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)methanol
SMILESCC1CCC2CCC(CO)N12
InChIInChI=1S/C9H17NO/c1-7-2-3-8-4-5-9(6-11)10(7)8/h7-9,11H,2-6H2,1H3
InChIKeyQURAJGWAVMYSQF-UHFFFAOYSA-N
XLogP0.99
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)methanol?
The IUPAC name of (5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)methanol (CID 13013227) is (5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)methanol.
What is the SMILES notation for (5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)methanol?
The canonical SMILES for (5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)methanol is CC1CCC2CCC(CO)N12.
What is the InChIKey of (5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)methanol?
The InChIKey is QURAJGWAVMYSQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-7-2-3-8-4-5-9(6-11)10(7)8/h7-9,11H,2-6H2,1H3.
What are the key properties of (5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)methanol?
(5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)methanol has a molecular weight of 155.24 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)methanol is sourced from PubChem (CID 13013227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).