2-pent-4-enyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol

C14H25NO — CID 81116355

IUPAC2-pent-4-enyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
SMILESC=CCCCN1CCC2(O)CCCCC2C1
InChIInChI=1S/C14H25NO/c1-2-3-6-10-15-11-9-14(16)8-5-4-7-13(14)12-15/h2,13,16H,1,3-12H2
InChIKeyARAWTFXRPGJFGD-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.58
Rot. Bonds4

About 2-pent-4-enyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol

2-pent-4-enyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol (PubChem CID 81116355) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-pent-4-enyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol.

Molecular Properties

Compound Name2-pent-4-enyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
PubChem CID81116355
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name2-pent-4-enyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
SMILESC=CCCCN1CCC2(O)CCCCC2C1
InChIInChI=1S/C14H25NO/c1-2-3-6-10-15-11-9-14(16)8-5-4-7-13(14)12-15/h2,13,16H,1,3-12H2
InChIKeyARAWTFXRPGJFGD-UHFFFAOYSA-N
XLogP2.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-pent-4-enyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol with MolForge

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

Launch Full Analysis

Related Compounds

2-(5-sulfanylpentyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81114952
2-octyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81115421
2-(3-ethylsulfanylpropyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 115723265
2-(2-piperidin-1-ylethyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 114286638
6-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)hexanoic acid
CID 81098229
2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-N,N-bis(prop-2-enyl)acetamide
CID 81108069
2-[3-(2,2,2-trifluoroethoxy)propyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81115325
3-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)propanethioamide
CID 81097003
2-[2-(cyclopropylamino)ethyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 81104097
2-(2,2,2-trifluoroethyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 114286627
N-[2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)ethyl]acetamide
CID 81115640
2-(3-chloro-2-hydroxypropyl)-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 112561817

Frequently Asked Questions

What is the IUPAC name of 2-pent-4-enyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol?
The IUPAC name of 2-pent-4-enyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol (CID 81116355) is 2-pent-4-enyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol.
What is the SMILES notation for 2-pent-4-enyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol?
The canonical SMILES for 2-pent-4-enyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol is C=CCCCN1CCC2(O)CCCCC2C1.
What is the InChIKey of 2-pent-4-enyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol?
The InChIKey is ARAWTFXRPGJFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-2-3-6-10-15-11-9-14(16)8-5-4-7-13(14)12-15/h2,13,16H,1,3-12H2.
What are the key properties of 2-pent-4-enyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol?
2-pent-4-enyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol has a molecular weight of 223.36 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pent-4-enyl-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol is sourced from PubChem (CID 81116355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).