4-prop-2-enyl-2,3,4a,5,6,6a,7,8-octahydro-1H-benzo[f]quinoline

C16H23N — CID 67877316

IUPAC4-prop-2-enyl-2,3,4a,5,6,6a,7,8-octahydro-1H-benzo[f]quinoline
SMILESC=CCN1CCCC2=C3C=CCCC3CCC21
InChIInChI=1S/C16H23N/c1-2-11-17-12-5-8-15-14-7-4-3-6-13(14)9-10-16(15)17/h2,4,7,13,16H,1,3,5-6,8-12H2
InChIKeyRIEFDAKIMLJVSU-UHFFFAOYSA-N
MW229.37 g/mol
LogP3.69
Rot. Bonds2

About 4-prop-2-enyl-2,3,4a,5,6,6a,7,8-octahydro-1H-benzo[f]quinoline

4-prop-2-enyl-2,3,4a,5,6,6a,7,8-octahydro-1H-benzo[f]quinoline (PubChem CID 67877316) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is 4-prop-2-enyl-2,3,4a,5,6,6a,7,8-octahydro-1H-benzo[f]quinoline.

Molecular Properties

Compound Name4-prop-2-enyl-2,3,4a,5,6,6a,7,8-octahydro-1H-benzo[f]quinoline
PubChem CID67877316
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name4-prop-2-enyl-2,3,4a,5,6,6a,7,8-octahydro-1H-benzo[f]quinoline
SMILESC=CCN1CCCC2=C3C=CCCC3CCC21
InChIInChI=1S/C16H23N/c1-2-11-17-12-5-8-15-14-7-4-3-6-13(14)9-10-16(15)17/h2,4,7,13,16H,1,3,5-6,8-12H2
InChIKeyRIEFDAKIMLJVSU-UHFFFAOYSA-N
XLogP3.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enyl-2,3,4a,5,6,6a,7,8-octahydro-1H-benzo[f]quinoline?
The IUPAC name of 4-prop-2-enyl-2,3,4a,5,6,6a,7,8-octahydro-1H-benzo[f]quinoline (CID 67877316) is 4-prop-2-enyl-2,3,4a,5,6,6a,7,8-octahydro-1H-benzo[f]quinoline.
What is the SMILES notation for 4-prop-2-enyl-2,3,4a,5,6,6a,7,8-octahydro-1H-benzo[f]quinoline?
The canonical SMILES for 4-prop-2-enyl-2,3,4a,5,6,6a,7,8-octahydro-1H-benzo[f]quinoline is C=CCN1CCCC2=C3C=CCCC3CCC21.
What is the InChIKey of 4-prop-2-enyl-2,3,4a,5,6,6a,7,8-octahydro-1H-benzo[f]quinoline?
The InChIKey is RIEFDAKIMLJVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N/c1-2-11-17-12-5-8-15-14-7-4-3-6-13(14)9-10-16(15)17/h2,4,7,13,16H,1,3,5-6,8-12H2.
What are the key properties of 4-prop-2-enyl-2,3,4a,5,6,6a,7,8-octahydro-1H-benzo[f]quinoline?
4-prop-2-enyl-2,3,4a,5,6,6a,7,8-octahydro-1H-benzo[f]quinoline has a molecular weight of 229.37 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enyl-2,3,4a,5,6,6a,7,8-octahydro-1H-benzo[f]quinoline is sourced from PubChem (CID 67877316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).