1-prop-2-enyl-3,4,4a,5-tetrahydro-2H-quinoline

C12H17N — CID 69120580

IUPAC1-prop-2-enyl-3,4,4a,5-tetrahydro-2H-quinoline
SMILESC=CCN1CCCC2CC=CC=C21
InChIInChI=1S/C12H17N/c1-2-9-13-10-5-7-11-6-3-4-8-12(11)13/h2-4,8,11H,1,5-7,9-10H2
InChIKeyZHTRXXVWYSRRJA-UHFFFAOYSA-N
MW175.28 g/mol
LogP2.73
Rot. Bonds2

About 1-prop-2-enyl-3,4,4a,5-tetrahydro-2H-quinoline

1-prop-2-enyl-3,4,4a,5-tetrahydro-2H-quinoline (PubChem CID 69120580) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 1-prop-2-enyl-3,4,4a,5-tetrahydro-2H-quinoline.

Molecular Properties

Compound Name1-prop-2-enyl-3,4,4a,5-tetrahydro-2H-quinoline
PubChem CID69120580
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name1-prop-2-enyl-3,4,4a,5-tetrahydro-2H-quinoline
SMILESC=CCN1CCCC2CC=CC=C21
InChIInChI=1S/C12H17N/c1-2-9-13-10-5-7-11-6-3-4-8-12(11)13/h2-4,8,11H,1,5-7,9-10H2
InChIKeyZHTRXXVWYSRRJA-UHFFFAOYSA-N
XLogP2.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 52.73
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 1-prop-2-enyl-3,4,4a,5-tetrahydro-2H-quinoline?
The IUPAC name of 1-prop-2-enyl-3,4,4a,5-tetrahydro-2H-quinoline (CID 69120580) is 1-prop-2-enyl-3,4,4a,5-tetrahydro-2H-quinoline.
What is the SMILES notation for 1-prop-2-enyl-3,4,4a,5-tetrahydro-2H-quinoline?
The canonical SMILES for 1-prop-2-enyl-3,4,4a,5-tetrahydro-2H-quinoline is C=CCN1CCCC2CC=CC=C21.
What is the InChIKey of 1-prop-2-enyl-3,4,4a,5-tetrahydro-2H-quinoline?
The InChIKey is ZHTRXXVWYSRRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-2-9-13-10-5-7-11-6-3-4-8-12(11)13/h2-4,8,11H,1,5-7,9-10H2.
What are the key properties of 1-prop-2-enyl-3,4,4a,5-tetrahydro-2H-quinoline?
1-prop-2-enyl-3,4,4a,5-tetrahydro-2H-quinoline has a molecular weight of 175.28 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-3,4,4a,5-tetrahydro-2H-quinoline is sourced from PubChem (CID 69120580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).