1-(prop-2-enoxymethyl)pyrrolo[1,2-a]quinoline

C16H15NO — CID 11658742

IUPAC1-(prop-2-enoxymethyl)pyrrolo[1,2-a]quinoline
SMILESC=CCOCc1ccc2ccc3ccccc3n12
InChIInChI=1S/C16H15NO/c1-2-11-18-12-15-10-9-14-8-7-13-5-3-4-6-16(13)17(14)15/h2-10H,1,11-12H2
InChIKeyXREQGPZIEJWXIC-UHFFFAOYSA-N
MW237.30 g/mol
LogP3.80
Rot. Bonds4

About 1-(prop-2-enoxymethyl)pyrrolo[1,2-a]quinoline

1-(prop-2-enoxymethyl)pyrrolo[1,2-a]quinoline (PubChem CID 11658742) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-(prop-2-enoxymethyl)pyrrolo[1,2-a]quinoline.

Molecular Properties

Compound Name1-(prop-2-enoxymethyl)pyrrolo[1,2-a]quinoline
PubChem CID11658742
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name1-(prop-2-enoxymethyl)pyrrolo[1,2-a]quinoline
SMILESC=CCOCc1ccc2ccc3ccccc3n12
InChIInChI=1S/C16H15NO/c1-2-11-18-12-15-10-9-14-8-7-13-5-3-4-6-16(13)17(14)15/h2-10H,1,11-12H2
InChIKeyXREQGPZIEJWXIC-UHFFFAOYSA-N
XLogP3.80
TPSA13.64 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 53.80
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 1-(prop-2-enoxymethyl)pyrrolo[1,2-a]quinoline?
The IUPAC name of 1-(prop-2-enoxymethyl)pyrrolo[1,2-a]quinoline (CID 11658742) is 1-(prop-2-enoxymethyl)pyrrolo[1,2-a]quinoline.
What is the SMILES notation for 1-(prop-2-enoxymethyl)pyrrolo[1,2-a]quinoline?
The canonical SMILES for 1-(prop-2-enoxymethyl)pyrrolo[1,2-a]quinoline is C=CCOCc1ccc2ccc3ccccc3n12.
What is the InChIKey of 1-(prop-2-enoxymethyl)pyrrolo[1,2-a]quinoline?
The InChIKey is XREQGPZIEJWXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-2-11-18-12-15-10-9-14-8-7-13-5-3-4-6-16(13)17(14)15/h2-10H,1,11-12H2.
What are the key properties of 1-(prop-2-enoxymethyl)pyrrolo[1,2-a]quinoline?
1-(prop-2-enoxymethyl)pyrrolo[1,2-a]quinoline has a molecular weight of 237.30 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(prop-2-enoxymethyl)pyrrolo[1,2-a]quinoline is sourced from PubChem (CID 11658742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).