1-(3,4-dihydro-2H-chromen-3-yl)-3-methoxyazetidine

C13H17NO2 — CID 163236275

IUPAC1-(3,4-dihydro-2H-chromen-3-yl)-3-methoxyazetidine
SMILESCOC1CN(C2COc3ccccc3C2)C1
InChIInChI=1S/C13H17NO2/c1-15-12-7-14(8-12)11-6-10-4-2-3-5-13(10)16-9-11/h2-5,11-12H,6-9H2,1H3
InChIKeyMWUUSIFGCSPMNH-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.32
Rot. Bonds2

About 1-(3,4-dihydro-2H-chromen-3-yl)-3-methoxyazetidine

1-(3,4-dihydro-2H-chromen-3-yl)-3-methoxyazetidine (PubChem CID 163236275) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-chromen-3-yl)-3-methoxyazetidine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-chromen-3-yl)-3-methoxyazetidine
PubChem CID163236275
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-(3,4-dihydro-2H-chromen-3-yl)-3-methoxyazetidine
SMILESCOC1CN(C2COc3ccccc3C2)C1
InChIInChI=1S/C13H17NO2/c1-15-12-7-14(8-12)11-6-10-4-2-3-5-13(10)16-9-11/h2-5,11-12H,6-9H2,1H3
InChIKeyMWUUSIFGCSPMNH-UHFFFAOYSA-N
XLogP1.32
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-chromen-3-yl)-3-methoxyazetidine?
The IUPAC name of 1-(3,4-dihydro-2H-chromen-3-yl)-3-methoxyazetidine (CID 163236275) is 1-(3,4-dihydro-2H-chromen-3-yl)-3-methoxyazetidine.
What is the SMILES notation for 1-(3,4-dihydro-2H-chromen-3-yl)-3-methoxyazetidine?
The canonical SMILES for 1-(3,4-dihydro-2H-chromen-3-yl)-3-methoxyazetidine is COC1CN(C2COc3ccccc3C2)C1.
What is the InChIKey of 1-(3,4-dihydro-2H-chromen-3-yl)-3-methoxyazetidine?
The InChIKey is MWUUSIFGCSPMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-15-12-7-14(8-12)11-6-10-4-2-3-5-13(10)16-9-11/h2-5,11-12H,6-9H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-chromen-3-yl)-3-methoxyazetidine?
1-(3,4-dihydro-2H-chromen-3-yl)-3-methoxyazetidine has a molecular weight of 219.28 g/mol, XLogP of 1.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-chromen-3-yl)-3-methoxyazetidine is sourced from PubChem (CID 163236275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).