1-pent-4-enylpyrrolo[1,2-a]quinoline

C17H17N — CID 11368341

IUPAC1-pent-4-enylpyrrolo[1,2-a]quinoline
SMILESC=CCCCc1ccc2ccc3ccccc3n12
InChIInChI=1S/C17H17N/c1-2-3-4-8-15-12-13-16-11-10-14-7-5-6-9-17(14)18(15)16/h2,5-7,9-13H,1,3-4,8H2
InChIKeyYUZMAMGKSFCKGJ-UHFFFAOYSA-N
MW235.33 g/mol
LogP4.60
Rot. Bonds4

About 1-pent-4-enylpyrrolo[1,2-a]quinoline

1-pent-4-enylpyrrolo[1,2-a]quinoline (PubChem CID 11368341) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-pent-4-enylpyrrolo[1,2-a]quinoline.

Molecular Properties

Compound Name1-pent-4-enylpyrrolo[1,2-a]quinoline
PubChem CID11368341
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC Name1-pent-4-enylpyrrolo[1,2-a]quinoline
SMILESC=CCCCc1ccc2ccc3ccccc3n12
InChIInChI=1S/C17H17N/c1-2-3-4-8-15-12-13-16-11-10-14-7-5-6-9-17(14)18(15)16/h2,5-7,9-13H,1,3-4,8H2
InChIKeyYUZMAMGKSFCKGJ-UHFFFAOYSA-N
XLogP4.60
TPSA4.41 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-pent-4-enylpyrrolo[1,2-a]quinoline?
The IUPAC name of 1-pent-4-enylpyrrolo[1,2-a]quinoline (CID 11368341) is 1-pent-4-enylpyrrolo[1,2-a]quinoline.
What is the SMILES notation for 1-pent-4-enylpyrrolo[1,2-a]quinoline?
The canonical SMILES for 1-pent-4-enylpyrrolo[1,2-a]quinoline is C=CCCCc1ccc2ccc3ccccc3n12.
What is the InChIKey of 1-pent-4-enylpyrrolo[1,2-a]quinoline?
The InChIKey is YUZMAMGKSFCKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N/c1-2-3-4-8-15-12-13-16-11-10-14-7-5-6-9-17(14)18(15)16/h2,5-7,9-13H,1,3-4,8H2.
What are the key properties of 1-pent-4-enylpyrrolo[1,2-a]quinoline?
1-pent-4-enylpyrrolo[1,2-a]quinoline has a molecular weight of 235.33 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pent-4-enylpyrrolo[1,2-a]quinoline is sourced from PubChem (CID 11368341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).