3-[3-(3,4-dihydro-2H-chromen-6-yl)oxetan-3-yl]pyrrolidine

C16H21NO2 — CID 116870883

IUPAC3-[3-(3,4-dihydro-2H-chromen-6-yl)oxetan-3-yl]pyrrolidine
SMILESc1cc2c(cc1C1(C3CCNC3)COC1)CCCO2
InChIInChI=1S/C16H21NO2/c1-2-12-8-13(3-4-15(12)19-7-1)16(10-18-11-16)14-5-6-17-9-14/h3-4,8,14,17H,1-2,5-7,9-11H2
InChIKeyIFAQFFUVAHGBKU-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.89
Rot. Bonds2

About 3-[3-(3,4-dihydro-2H-chromen-6-yl)oxetan-3-yl]pyrrolidine

3-[3-(3,4-dihydro-2H-chromen-6-yl)oxetan-3-yl]pyrrolidine (PubChem CID 116870883) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-[3-(3,4-dihydro-2H-chromen-6-yl)oxetan-3-yl]pyrrolidine.

Molecular Properties

Compound Name3-[3-(3,4-dihydro-2H-chromen-6-yl)oxetan-3-yl]pyrrolidine
PubChem CID116870883
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name3-[3-(3,4-dihydro-2H-chromen-6-yl)oxetan-3-yl]pyrrolidine
SMILESc1cc2c(cc1C1(C3CCNC3)COC1)CCCO2
InChIInChI=1S/C16H21NO2/c1-2-12-8-13(3-4-15(12)19-7-1)16(10-18-11-16)14-5-6-17-9-14/h3-4,8,14,17H,1-2,5-7,9-11H2
InChIKeyIFAQFFUVAHGBKU-UHFFFAOYSA-N
XLogP1.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(2,3-dihydro-1-benzofuran-5-yl)oxetan-3-yl]pyrrolidine
CID 116870898
3-[3-(3,4-dimethylphenyl)oxetan-3-yl]piperidine
CID 116870954
N-(3,4-dihydro-2H-chromen-6-yl)-N-methylpyrrolidine-3-carboxamide
CID 115159450
3-[3-(4-ethoxy-3-methylphenyl)oxetan-3-yl]pyrrolidine
CID 116870870
6-(2-methyloxiran-2-yl)-3,4-dihydro-2H-chromene
CID 82468795
4-(3,4-dihydro-2H-chromen-6-yloxy)piperidine
CID 28815096
2-(3,4-dihydro-2H-chromen-6-ylmethyl)-1-methylpiperazine
CID 116928055
2-[3-(3,4-dihydro-2H-chromen-6-yl)oxetan-3-yl]-N-methylethanamine
CID 116869677
4-[2-(3,4-dihydro-2H-chromen-6-yl)ethyl]piperidine
CID 116925700
2-[3-(3,4-dihydro-2H-chromen-6-yl)oxetan-3-yl]propanoic acid
CID 116872070
2-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpiperazine
CID 116856338
3-[3-(5-bromo-2-methoxyphenyl)oxetan-3-yl]pyrrolidine
CID 116870863

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,4-dihydro-2H-chromen-6-yl)oxetan-3-yl]pyrrolidine?
The IUPAC name of 3-[3-(3,4-dihydro-2H-chromen-6-yl)oxetan-3-yl]pyrrolidine (CID 116870883) is 3-[3-(3,4-dihydro-2H-chromen-6-yl)oxetan-3-yl]pyrrolidine.
What is the SMILES notation for 3-[3-(3,4-dihydro-2H-chromen-6-yl)oxetan-3-yl]pyrrolidine?
The canonical SMILES for 3-[3-(3,4-dihydro-2H-chromen-6-yl)oxetan-3-yl]pyrrolidine is c1cc2c(cc1C1(C3CCNC3)COC1)CCCO2.
What is the InChIKey of 3-[3-(3,4-dihydro-2H-chromen-6-yl)oxetan-3-yl]pyrrolidine?
The InChIKey is IFAQFFUVAHGBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-2-12-8-13(3-4-15(12)19-7-1)16(10-18-11-16)14-5-6-17-9-14/h3-4,8,14,17H,1-2,5-7,9-11H2.
What are the key properties of 3-[3-(3,4-dihydro-2H-chromen-6-yl)oxetan-3-yl]pyrrolidine?
3-[3-(3,4-dihydro-2H-chromen-6-yl)oxetan-3-yl]pyrrolidine has a molecular weight of 259.35 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,4-dihydro-2H-chromen-6-yl)oxetan-3-yl]pyrrolidine is sourced from PubChem (CID 116870883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).