2-(oxiran-2-ylmethyl)-3,4-dihydro-1H-2,6-naphthyridine

C11H14N2O — CID 118611261

IUPAC2-(oxiran-2-ylmethyl)-3,4-dihydro-1H-2,6-naphthyridine
SMILESc1cc2c(cn1)CCN(CC1CO1)C2
InChIInChI=1S/C11H14N2O/c1-3-12-5-9-2-4-13(6-10(1)9)7-11-8-14-11/h1,3,5,11H,2,4,6-8H2
InChIKeyFDDLBEZVKWOSCJ-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.84
Rot. Bonds2

About 2-(oxiran-2-ylmethyl)-3,4-dihydro-1H-2,6-naphthyridine

2-(oxiran-2-ylmethyl)-3,4-dihydro-1H-2,6-naphthyridine (PubChem CID 118611261) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-(oxiran-2-ylmethyl)-3,4-dihydro-1H-2,6-naphthyridine.

Molecular Properties

Compound Name2-(oxiran-2-ylmethyl)-3,4-dihydro-1H-2,6-naphthyridine
PubChem CID118611261
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2-(oxiran-2-ylmethyl)-3,4-dihydro-1H-2,6-naphthyridine
SMILESc1cc2c(cn1)CCN(CC1CO1)C2
InChIInChI=1S/C11H14N2O/c1-3-12-5-9-2-4-13(6-10(1)9)7-11-8-14-11/h1,3,5,11H,2,4,6-8H2
InChIKeyFDDLBEZVKWOSCJ-UHFFFAOYSA-N
XLogP0.84
TPSA28.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[(2S)-oxiran-2-yl]methyl]-3,4-dihydro-1H-isoquinoline;sulfane
CID 161167109
7-fluoro-2-[[(2R)-oxiran-2-yl]methyl]-3,4-dihydro-1H-isoquinoline
CID 138663432
[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)oxolan-2-yl]methanamine
CID 62423352
3,4-dihydro-1H-2,6-naphthyridin-2-yl(phosphanyl)phosphane
CID 23532207
N-[[5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)oxolan-2-yl]methyl]propan-2-amine
CID 62424996
1-methyl-5-(oxiran-2-ylmethyl)-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 118611289
1-[[(2R)-oxiran-2-yl]methyl]pyrrolidine
CID 40505235
2-(1,4-dioxan-2-ylmethyl)-1,3-dihydroisoindole
CID 166602231
tert-butyl N-[1-(3,4-dihydro-1H-2,6-naphthyridin-2-yl)propan-2-yl]carbamate
CID 175178834
1-benzhydryl-4-[[(2R)-oxiran-2-yl]methyl]piperazine
CID 34180767
2-(1-benzylpiperidin-4-yl)-3,4-dihydro-1H-2,7-naphthyridine
CID 164880602
1,3-dihydropyrrolo[3,4-c]pyridin-2-amine
CID 89418615

Frequently Asked Questions

What is the IUPAC name of 2-(oxiran-2-ylmethyl)-3,4-dihydro-1H-2,6-naphthyridine?
The IUPAC name of 2-(oxiran-2-ylmethyl)-3,4-dihydro-1H-2,6-naphthyridine (CID 118611261) is 2-(oxiran-2-ylmethyl)-3,4-dihydro-1H-2,6-naphthyridine.
What is the SMILES notation for 2-(oxiran-2-ylmethyl)-3,4-dihydro-1H-2,6-naphthyridine?
The canonical SMILES for 2-(oxiran-2-ylmethyl)-3,4-dihydro-1H-2,6-naphthyridine is c1cc2c(cn1)CCN(CC1CO1)C2.
What is the InChIKey of 2-(oxiran-2-ylmethyl)-3,4-dihydro-1H-2,6-naphthyridine?
The InChIKey is FDDLBEZVKWOSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-3-12-5-9-2-4-13(6-10(1)9)7-11-8-14-11/h1,3,5,11H,2,4,6-8H2.
What are the key properties of 2-(oxiran-2-ylmethyl)-3,4-dihydro-1H-2,6-naphthyridine?
2-(oxiran-2-ylmethyl)-3,4-dihydro-1H-2,6-naphthyridine has a molecular weight of 190.25 g/mol, XLogP of 0.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxiran-2-ylmethyl)-3,4-dihydro-1H-2,6-naphthyridine is sourced from PubChem (CID 118611261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).