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

C11H21NO — CID 130991449

IUPAC3-[(3S,5R,8R)-5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]propan-1-ol
SMILESC[C@@H]1CC[C@@H]2CC[C@@H](CCCO)N21
InChIInChI=1S/C11H21NO/c1-9-4-5-11-7-6-10(12(9)11)3-2-8-13/h9-11,13H,2-8H2,1H3/t9-,10-,11-/m1/s1
InChIKeyKEJZFXLFHRLZKB-GMTAPVOTSA-N
MW183.29 g/mol
LogP1.77
Rot. Bonds3

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

3-[(3S,5R,8R)-5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]propan-1-ol (PubChem CID 130991449) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-[(3S,5R,8R)-5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(3S,5R,8R)-5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]propan-1-ol
PubChem CID130991449
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-[(3S,5R,8R)-5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]propan-1-ol
SMILESC[C@@H]1CC[C@@H]2CC[C@@H](CCCO)N21
InChIInChI=1S/C11H21NO/c1-9-4-5-11-7-6-10(12(9)11)3-2-8-13/h9-11,13H,2-8H2,1H3/t9-,10-,11-/m1/s1
InChIKeyKEJZFXLFHRLZKB-GMTAPVOTSA-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

Analyze 3-[(3S,5R,8R)-5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]propan-1-ol with MolForge

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Related Compounds

2-Pyrrolidinepropanol, 1-methyl-
CID 12261672
(S)-7-((3R,5S,7aR)-5-Methyl-hexahydro-pyrrolizin-3-yl)-heptan-2-ol
CID 12049951
(R)-7-((3R,5S,7aR)-5-Methyl-hexahydro-pyrrolizin-3-yl)-heptan-2-ol
CID 12049952
(S)-7-((3R,5S,7aR)-5-Propyl-hexahydro-pyrrolizin-3-yl)-heptan-2-ol
CID 12049954
(R)-7-((3R,5S,7aR)-5-Propyl-hexahydro-pyrrolizin-3-yl)-heptan-2-ol
CID 12049955
(Hexahydro-1H-pyrrolizin-3-yl)methanol
CID 13013221
5-Hydroxymethyl-3-methylpyrrolizidine
CID 13013227
3-(5-Methylhexahydro-1H-pyrrolizin-3-yl)propan-1-ol
CID 71389045
3-(Hexahydro-1H-pyrrolizin-3-yl)propan-1-ol
CID 71389046
[(5S,10aR)-1,2,3,5,6,7,8,9,10,10a-decahydropyrrolo[1,2-a]azocin-5-yl]methanol
CID 101235795
3-(2-Hydroxyethyl)pyrrolizidine
CID 129784567
[(1S,7R,8S)-7-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methanol
CID 162401841

Frequently Asked Questions

What is the IUPAC name of 3-[(3S,5R,8R)-5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]propan-1-ol?
The IUPAC name of 3-[(3S,5R,8R)-5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]propan-1-ol (CID 130991449) is 3-[(3S,5R,8R)-5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]propan-1-ol.
What is the SMILES notation for 3-[(3S,5R,8R)-5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]propan-1-ol?
The canonical SMILES for 3-[(3S,5R,8R)-5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]propan-1-ol is C[C@@H]1CC[C@@H]2CC[C@@H](CCCO)N21.
What is the InChIKey of 3-[(3S,5R,8R)-5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]propan-1-ol?
The InChIKey is KEJZFXLFHRLZKB-GMTAPVOTSA-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/t9-,10-,11-/m1/s1.
What are the key properties of 3-[(3S,5R,8R)-5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]propan-1-ol?
3-[(3S,5R,8R)-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-[(3S,5R,8R)-5-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]propan-1-ol is sourced from PubChem (CID 130991449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).