(2R)-2-(3,4-dihydro-2H-chromen-5-yl)azetidine

C12H15NO — CID 131172256

IUPAC(2R)-2-(3,4-dihydro-2H-chromen-5-yl)azetidine
SMILESc1cc2c(c([C@H]3CCN3)c1)CCCO2
InChIInChI=1S/C12H15NO/c1-3-9(11-6-7-13-11)10-4-2-8-14-12(10)5-1/h1,3,5,11,13H,2,4,6-8H2/t11-/m1/s1
InChIKeyDEWLKBANNHVPMM-LLVKDONJSA-N
MW189.26 g/mol
LogP2.05
Rot. Bonds1

About (2R)-2-(3,4-dihydro-2H-chromen-5-yl)azetidine

(2R)-2-(3,4-dihydro-2H-chromen-5-yl)azetidine (PubChem CID 131172256) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is (2R)-2-(3,4-dihydro-2H-chromen-5-yl)azetidine.

Molecular Properties

Compound Name(2R)-2-(3,4-dihydro-2H-chromen-5-yl)azetidine
PubChem CID131172256
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name(2R)-2-(3,4-dihydro-2H-chromen-5-yl)azetidine
SMILESc1cc2c(c([C@H]3CCN3)c1)CCCO2
InChIInChI=1S/C12H15NO/c1-3-9(11-6-7-13-11)10-4-2-8-14-12(10)5-1/h1,3,5,11,13H,2,4,6-8H2/t11-/m1/s1
InChIKeyDEWLKBANNHVPMM-LLVKDONJSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)azetidine;hydrochloride
CID 171197468
(2R)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidine
CID 51716217
(2S)-2-(8-fluoro-3,4-dihydro-2H-chromen-5-yl)pyrrolidine
CID 66519325
(3R)-3-(2,3-dihydro-1-benzofuran-4-yl)piperidine
CID 96763066
(2R)-2-(2,3-dihydro-1-benzofuran-7-yl)azetidine
CID 130680225
5-bromo-3,4-dihydro-2H-chromene
CID 22009964
(2S)-2-(7-fluoro-2,3-dihydro-1H-inden-4-yl)azetidine
CID 130718409
2-(2,3,4,5-tetrahydro-1-benzoxepin-6-yl)cyclopropane-1-carbaldehyde
CID 18787409
2-(2,3-dihydro-1-benzofuran-4-yl)-2,3-dihydro-1,3-benzoxazole
CID 166716951
(2R)-2-(2,3-dimethylphenyl)azetidine
CID 130714481
5-cyclopentyl-2,3,4,5-tetrahydro-1,4-benzoxazepine
CID 83705398
(2S)-2-(4-fluoro-2,3-dihydro-1-benzofuran-7-yl)azetidine
CID 130639912

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4-dihydro-2H-chromen-5-yl)azetidine?
The IUPAC name of (2R)-2-(3,4-dihydro-2H-chromen-5-yl)azetidine (CID 131172256) is (2R)-2-(3,4-dihydro-2H-chromen-5-yl)azetidine.
What is the SMILES notation for (2R)-2-(3,4-dihydro-2H-chromen-5-yl)azetidine?
The canonical SMILES for (2R)-2-(3,4-dihydro-2H-chromen-5-yl)azetidine is c1cc2c(c([C@H]3CCN3)c1)CCCO2.
What is the InChIKey of (2R)-2-(3,4-dihydro-2H-chromen-5-yl)azetidine?
The InChIKey is DEWLKBANNHVPMM-LLVKDONJSA-N. The full InChI is InChI=1S/C12H15NO/c1-3-9(11-6-7-13-11)10-4-2-8-14-12(10)5-1/h1,3,5,11,13H,2,4,6-8H2/t11-/m1/s1.
What are the key properties of (2R)-2-(3,4-dihydro-2H-chromen-5-yl)azetidine?
(2R)-2-(3,4-dihydro-2H-chromen-5-yl)azetidine has a molecular weight of 189.26 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,4-dihydro-2H-chromen-5-yl)azetidine is sourced from PubChem (CID 131172256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).