8-but-3-enoxy-1,2,3,4-tetrahydroquinoline

C13H17NO — CID 10631987

IUPAC8-but-3-enoxy-1,2,3,4-tetrahydroquinoline
SMILESC=CCCOc1cccc2c1NCCC2
InChIInChI=1S/C13H17NO/c1-2-3-10-15-12-8-4-6-11-7-5-9-14-13(11)12/h2,4,6,8,14H,1,3,5,7,9-10H2
InChIKeyHGUBYGNHNCTVDY-UHFFFAOYSA-N
MW203.28 g/mol
LogP3.00
Rot. Bonds4

About 8-but-3-enoxy-1,2,3,4-tetrahydroquinoline

8-but-3-enoxy-1,2,3,4-tetrahydroquinoline (PubChem CID 10631987) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 8-but-3-enoxy-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name8-but-3-enoxy-1,2,3,4-tetrahydroquinoline
PubChem CID10631987
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name8-but-3-enoxy-1,2,3,4-tetrahydroquinoline
SMILESC=CCCOc1cccc2c1NCCC2
InChIInChI=1S/C13H17NO/c1-2-3-10-15-12-8-4-6-11-7-5-9-14-13(11)12/h2,4,6,8,14H,1,3,5,7,9-10H2
InChIKeyHGUBYGNHNCTVDY-UHFFFAOYSA-N
XLogP3.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 53.00
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'}

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Related Compounds

3-(1,2,3,4-tetrahydroquinolin-8-yloxy)propan-1-ol
CID 61027554
8-(3-phenoxypropoxy)-1,2,3,4-tetrahydroquinoline
CID 61027161
8-(3-phenylpropoxy)-1,2,3,4-tetrahydroquinoline
CID 28553513
8-(2,2,2-trifluoroethoxy)-1,2,3,4-tetrahydroquinoline
CID 16781925
8-(2-fluoro-2-methylpropoxy)-1,2,3,4-tetrahydroquinoline
CID 115075715
N-ethyl-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)propanamide
CID 62324258
8-(pyrazin-2-ylmethoxy)-1,2,3,4-tetrahydroquinoline
CID 54909301
1,1,1-trifluoro-3-(1,2,3,4-tetrahydroquinolin-8-yloxy)propan-2-ol
CID 63901925
8-[(2-chloro-3-fluorophenyl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115984072
8-pyridin-2-yloxy-1,2,3,4-tetrahydroquinoline
CID 61025631
8-(3-methylazetidin-3-yl)oxy-1,2,3,4-tetrahydroquinoline
CID 115075665
8-[(5-fluoro-2-pyridinyl)oxy]-1,2,3,4-tetrahydroquinoline
CID 61313548

Frequently Asked Questions

What is the IUPAC name of 8-but-3-enoxy-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 8-but-3-enoxy-1,2,3,4-tetrahydroquinoline (CID 10631987) is 8-but-3-enoxy-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 8-but-3-enoxy-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 8-but-3-enoxy-1,2,3,4-tetrahydroquinoline is C=CCCOc1cccc2c1NCCC2.
What is the InChIKey of 8-but-3-enoxy-1,2,3,4-tetrahydroquinoline?
The InChIKey is HGUBYGNHNCTVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-2-3-10-15-12-8-4-6-11-7-5-9-14-13(11)12/h2,4,6,8,14H,1,3,5,7,9-10H2.
What are the key properties of 8-but-3-enoxy-1,2,3,4-tetrahydroquinoline?
8-but-3-enoxy-1,2,3,4-tetrahydroquinoline has a molecular weight of 203.28 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-but-3-enoxy-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 10631987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).