1-[(2-methyloxiran-2-yl)methyl]-3,4-dihydro-2H-quinoline

C13H17NO — CID 102413131

IUPAC1-[(2-methyloxiran-2-yl)methyl]-3,4-dihydro-2H-quinoline
SMILESCC1(CN2CCCc3ccccc32)CO1
InChIInChI=1S/C13H17NO/c1-13(10-15-13)9-14-8-4-6-11-5-2-3-7-12(11)14/h2-3,5,7H,4,6,8-10H2,1H3
InChIKeyCJEANXFXYLQNMM-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.23
Rot. Bonds2

About 1-[(2-methyloxiran-2-yl)methyl]-3,4-dihydro-2H-quinoline

1-[(2-methyloxiran-2-yl)methyl]-3,4-dihydro-2H-quinoline (PubChem CID 102413131) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 1-[(2-methyloxiran-2-yl)methyl]-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-[(2-methyloxiran-2-yl)methyl]-3,4-dihydro-2H-quinoline
PubChem CID102413131
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name1-[(2-methyloxiran-2-yl)methyl]-3,4-dihydro-2H-quinoline
SMILESCC1(CN2CCCc3ccccc32)CO1
InChIInChI=1S/C13H17NO/c1-13(10-15-13)9-14-8-4-6-11-5-2-3-7-12(11)14/h2-3,5,7H,4,6,8-10H2,1H3
InChIKeyCJEANXFXYLQNMM-UHFFFAOYSA-N
XLogP2.23
TPSA15.77 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.23
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 1-[(2-methyloxiran-2-yl)methyl]-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-[(2-methyloxiran-2-yl)methyl]-3,4-dihydro-2H-quinoline (CID 102413131) is 1-[(2-methyloxiran-2-yl)methyl]-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-[(2-methyloxiran-2-yl)methyl]-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-[(2-methyloxiran-2-yl)methyl]-3,4-dihydro-2H-quinoline is CC1(CN2CCCc3ccccc32)CO1.
What is the InChIKey of 1-[(2-methyloxiran-2-yl)methyl]-3,4-dihydro-2H-quinoline?
The InChIKey is CJEANXFXYLQNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-13(10-15-13)9-14-8-4-6-11-5-2-3-7-12(11)14/h2-3,5,7H,4,6,8-10H2,1H3.
What are the key properties of 1-[(2-methyloxiran-2-yl)methyl]-3,4-dihydro-2H-quinoline?
1-[(2-methyloxiran-2-yl)methyl]-3,4-dihydro-2H-quinoline has a molecular weight of 203.28 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyloxiran-2-yl)methyl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 102413131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).