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

C17H33NO — CID 12049955

IUPAC(2R)-7-[(3R,5S,8R)-5-propyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]heptan-2-ol
SMILESCCC[C@H]1CC[C@@H]2CC[C@@H](CCCCC[C@@H](C)O)N21
InChIInChI=1S/C17H33NO/c1-3-7-15-10-12-17-13-11-16(18(15)17)9-6-4-5-8-14(2)19/h14-17,19H,3-13H2,1-2H3/t14-,15+,16-,17-/m1/s1
InChIKeyJLXFCRGBJHNVNU-YYIAUSFCSA-N
MW267.46 g/mol
LogP4.11
Rot. Bonds8

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

(2R)-7-[(3R,5S,8R)-5-propyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]heptan-2-ol (PubChem CID 12049955) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is (2R)-7-[(3R,5S,8R)-5-propyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]heptan-2-ol.

Molecular Properties

Compound Name(2R)-7-[(3R,5S,8R)-5-propyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]heptan-2-ol
PubChem CID12049955
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name(2R)-7-[(3R,5S,8R)-5-propyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]heptan-2-ol
SMILESCCC[C@H]1CC[C@@H]2CC[C@@H](CCCCC[C@@H](C)O)N21
InChIInChI=1S/C17H33NO/c1-3-7-15-10-12-17-13-11-16(18(15)17)9-6-4-5-8-14(2)19/h14-17,19H,3-13H2,1-2H3/t14-,15+,16-,17-/m1/s1
InChIKeyJLXFCRGBJHNVNU-YYIAUSFCSA-N
XLogP4.11
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-7-[(3R,5S,8R)-5-propyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]heptan-2-ol?
The IUPAC name of (2R)-7-[(3R,5S,8R)-5-propyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]heptan-2-ol (CID 12049955) is (2R)-7-[(3R,5S,8R)-5-propyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]heptan-2-ol.
What is the SMILES notation for (2R)-7-[(3R,5S,8R)-5-propyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]heptan-2-ol?
The canonical SMILES for (2R)-7-[(3R,5S,8R)-5-propyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]heptan-2-ol is CCC[C@H]1CC[C@@H]2CC[C@@H](CCCCC[C@@H](C)O)N21.
What is the InChIKey of (2R)-7-[(3R,5S,8R)-5-propyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]heptan-2-ol?
The InChIKey is JLXFCRGBJHNVNU-YYIAUSFCSA-N. The full InChI is InChI=1S/C17H33NO/c1-3-7-15-10-12-17-13-11-16(18(15)17)9-6-4-5-8-14(2)19/h14-17,19H,3-13H2,1-2H3/t14-,15+,16-,17-/m1/s1.
What are the key properties of (2R)-7-[(3R,5S,8R)-5-propyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]heptan-2-ol?
(2R)-7-[(3R,5S,8R)-5-propyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]heptan-2-ol has a molecular weight of 267.46 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-7-[(3R,5S,8R)-5-propyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-3-yl]heptan-2-ol is sourced from PubChem (CID 12049955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).