2-(prop-2-enoxymethyl)quinoline

C13H13NO — CID 10821856

IUPAC2-(prop-2-enoxymethyl)quinoline
SMILESC=CCOCc1ccc2ccccc2n1
InChIInChI=1S/C13H13NO/c1-2-9-15-10-12-8-7-11-5-3-4-6-13(11)14-12/h2-8H,1,9-10H2
InChIKeyMKZGBAIVQVMREH-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.94
Rot. Bonds4

About 2-(prop-2-enoxymethyl)quinoline

2-(prop-2-enoxymethyl)quinoline (PubChem CID 10821856) has the molecular formula C13H13NO and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-(prop-2-enoxymethyl)quinoline.

Molecular Properties

Compound Name2-(prop-2-enoxymethyl)quinoline
PubChem CID10821856
Molecular FormulaC13H13NO
Molecular Weight199.25 g/mol
Exact Mass199.10
IUPAC Name2-(prop-2-enoxymethyl)quinoline
SMILESC=CCOCc1ccc2ccccc2n1
InChIInChI=1S/C13H13NO/c1-2-9-15-10-12-8-7-11-5-3-4-6-13(11)14-12/h2-8H,1,9-10H2
InChIKeyMKZGBAIVQVMREH-UHFFFAOYSA-N
XLogP2.94
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.94
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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Related Compounds

2-(dodecoxymethyl)quinoline
CID 14754989
2,2-dimethyl-3-(quinolin-2-ylmethoxy)propan-1-ol
CID 18008046
CID 89210421
CID 89210421
2-chloro-6-(prop-2-enoxymethyl)pyridine
CID 79243587
tert-butyl-dimethyl-(quinolin-2-ylmethoxy)silane
CID 54324291
1-quinolin-2-ylbut-3-en-2-one
CID 103453640
quinolin-2-ylmethanamine;dihydrochloride
CID 18507294
2-(iodomethyl)quinoline
CID 19432604
2-(pyrrolidin-3-ylmethoxymethyl)quinoline
CID 46941556
2-[[4-[[2-(chloromethyl)phenyl]methoxy]phenoxy]methyl]quinoline
CID 14650385
2-(quinolin-2-ylmethoxy)benzoate
CID 6919840
5-[[5-(quinolin-2-ylmethoxymethyl)furan-2-yl]methoxy]pent-1-en-2-ol
CID 142024751

Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enoxymethyl)quinoline?
The IUPAC name of 2-(prop-2-enoxymethyl)quinoline (CID 10821856) is 2-(prop-2-enoxymethyl)quinoline.
What is the SMILES notation for 2-(prop-2-enoxymethyl)quinoline?
The canonical SMILES for 2-(prop-2-enoxymethyl)quinoline is C=CCOCc1ccc2ccccc2n1.
What is the InChIKey of 2-(prop-2-enoxymethyl)quinoline?
The InChIKey is MKZGBAIVQVMREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO/c1-2-9-15-10-12-8-7-11-5-3-4-6-13(11)14-12/h2-8H,1,9-10H2.
What are the key properties of 2-(prop-2-enoxymethyl)quinoline?
2-(prop-2-enoxymethyl)quinoline has a molecular weight of 199.25 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enoxymethyl)quinoline is sourced from PubChem (CID 10821856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).