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

C11H21NO — CID 71389045

IUPAC3-(5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)propan-1-ol
SMILESCC1CCC2CCC(CCCO)N12
InChIInChI=1S/C11H21NO/c1-9-4-5-11-7-6-10(12(9)11)3-2-8-13/h9-11,13H,2-8H2,1H3
InChIKeyKEJZFXLFHRLZKB-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.77
Rot. Bonds3

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

3-(5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)propan-1-ol (PubChem CID 71389045) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-(5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-(5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)propan-1-ol
PubChem CID71389045
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-(5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)propan-1-ol
SMILESCC1CCC2CCC(CCCO)N12
InChIInChI=1S/C11H21NO/c1-9-4-5-11-7-6-10(12(9)11)3-2-8-13/h9-11,13H,2-8H2,1H3
InChIKeyKEJZFXLFHRLZKB-UHFFFAOYSA-N
XLogP1.77
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)propan-1-ol?
The IUPAC name of 3-(5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)propan-1-ol (CID 71389045) is 3-(5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)propan-1-ol.
What is the SMILES notation for 3-(5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)propan-1-ol?
The canonical SMILES for 3-(5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)propan-1-ol is CC1CCC2CCC(CCCO)N12.
What is the InChIKey of 3-(5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)propan-1-ol?
The InChIKey is KEJZFXLFHRLZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-9-4-5-11-7-6-10(12(9)11)3-2-8-13/h9-11,13H,2-8H2,1H3.
What are the key properties of 3-(5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)propan-1-ol?
3-(5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)propan-1-ol has a molecular weight of 183.29 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl)propan-1-ol is sourced from PubChem (CID 71389045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).