2-[(2R,3R)-3-methyloxiran-2-yl]quinoline

C12H11NO — CID 10442411

IUPAC2-[(2R,3R)-3-methyloxiran-2-yl]quinoline
SMILESC[C@H]1O[C@@H]1c1ccc2ccccc2n1
InChIInChI=1S/C12H11NO/c1-8-12(14-8)11-7-6-9-4-2-3-5-10(9)13-11/h2-8,12H,1H3/t8-,12+/m1/s1
InChIKeyIDMQYPZJYBLBCF-PELKAZGASA-N
MW185.23 g/mol
LogP2.69
Rot. Bonds1

About 2-[(2R,3R)-3-methyloxiran-2-yl]quinoline

2-[(2R,3R)-3-methyloxiran-2-yl]quinoline (PubChem CID 10442411) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is 2-[(2R,3R)-3-methyloxiran-2-yl]quinoline.

Molecular Properties

Compound Name2-[(2R,3R)-3-methyloxiran-2-yl]quinoline
PubChem CID10442411
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name2-[(2R,3R)-3-methyloxiran-2-yl]quinoline
SMILESC[C@H]1O[C@@H]1c1ccc2ccccc2n1
InChIInChI=1S/C12H11NO/c1-8-12(14-8)11-7-6-9-4-2-3-5-10(9)13-11/h2-8,12H,1H3/t8-,12+/m1/s1
InChIKeyIDMQYPZJYBLBCF-PELKAZGASA-N
XLogP2.69
TPSA25.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,3R)-3-methyloxiran-2-yl]quinoline?
The IUPAC name of 2-[(2R,3R)-3-methyloxiran-2-yl]quinoline (CID 10442411) is 2-[(2R,3R)-3-methyloxiran-2-yl]quinoline.
What is the SMILES notation for 2-[(2R,3R)-3-methyloxiran-2-yl]quinoline?
The canonical SMILES for 2-[(2R,3R)-3-methyloxiran-2-yl]quinoline is C[C@H]1O[C@@H]1c1ccc2ccccc2n1.
What is the InChIKey of 2-[(2R,3R)-3-methyloxiran-2-yl]quinoline?
The InChIKey is IDMQYPZJYBLBCF-PELKAZGASA-N. The full InChI is InChI=1S/C12H11NO/c1-8-12(14-8)11-7-6-9-4-2-3-5-10(9)13-11/h2-8,12H,1H3/t8-,12+/m1/s1.
What are the key properties of 2-[(2R,3R)-3-methyloxiran-2-yl]quinoline?
2-[(2R,3R)-3-methyloxiran-2-yl]quinoline has a molecular weight of 185.23 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,3R)-3-methyloxiran-2-yl]quinoline is sourced from PubChem (CID 10442411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).