2-(azetidin-3-yl)-1-(3,4-dihydro-2H-chromen-8-yl)ethanone

C14H17NO2 — CID 114747936

IUPAC2-(azetidin-3-yl)-1-(3,4-dihydro-2H-chromen-8-yl)ethanone
SMILESO=C(CC1CNC1)c1cccc2c1OCCC2
InChIInChI=1S/C14H17NO2/c16-13(7-10-8-15-9-10)12-5-1-3-11-4-2-6-17-14(11)12/h1,3,5,10,15H,2,4,6-9H2
InChIKeyRBQUZXIPLPQEGC-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.80
Rot. Bonds3

About 2-(azetidin-3-yl)-1-(3,4-dihydro-2H-chromen-8-yl)ethanone

2-(azetidin-3-yl)-1-(3,4-dihydro-2H-chromen-8-yl)ethanone (PubChem CID 114747936) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-1-(3,4-dihydro-2H-chromen-8-yl)ethanone.

Molecular Properties

Compound Name2-(azetidin-3-yl)-1-(3,4-dihydro-2H-chromen-8-yl)ethanone
PubChem CID114747936
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name2-(azetidin-3-yl)-1-(3,4-dihydro-2H-chromen-8-yl)ethanone
SMILESO=C(CC1CNC1)c1cccc2c1OCCC2
InChIInChI=1S/C14H17NO2/c16-13(7-10-8-15-9-10)12-5-1-3-11-4-2-6-17-14(11)12/h1,3,5,10,15H,2,4,6-9H2
InChIKeyRBQUZXIPLPQEGC-UHFFFAOYSA-N
XLogP1.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azetidin-3-yl)-1-(3,4-dihydro-2H-chromen-8-yl)propan-1-one
CID 114748122
1-(2,3-dihydro-1-benzofuran-7-yl)-2-(oxolan-3-yl)ethanone
CID 114744367
1-(3,4-dihydro-2H-chromen-8-yl)ethanone
CID 82599043
1-(3,4-dihydro-2H-chromen-8-yl)-2-(prop-2-ynylamino)ethanone
CID 114747975
1-(3,4-dihydro-2H-chromen-8-yl)-2-(2-methylphenyl)ethanone
CID 114744040
3-amino-1-(3,4-dihydro-2H-chromen-8-yl)pentan-1-one
CID 114748089
1-(3,4-dihydro-2H-chromen-8-yl)-3-ethoxypropan-1-one
CID 105133620
1-(2,3-dihydro-1-benzofuran-7-yl)-4,4,4-trifluorobutan-1-one
CID 114744273
1-(3,4-dihydro-2H-chromen-8-yl)-2-[1-(methylamino)cyclohexyl]ethanone
CID 114747898
2-(butan-2-ylamino)-1-(3,4-dihydro-2H-chromen-8-yl)ethanone
CID 114747793
2-chloro-1-(2,3-dihydro-1-benzofuran-7-yl)ethanone
CID 25002538
(E)-1-(3,4-dihydro-2H-chromen-8-yl)pent-2-en-1-one
CID 103454118

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-1-(3,4-dihydro-2H-chromen-8-yl)ethanone?
The IUPAC name of 2-(azetidin-3-yl)-1-(3,4-dihydro-2H-chromen-8-yl)ethanone (CID 114747936) is 2-(azetidin-3-yl)-1-(3,4-dihydro-2H-chromen-8-yl)ethanone.
What is the SMILES notation for 2-(azetidin-3-yl)-1-(3,4-dihydro-2H-chromen-8-yl)ethanone?
The canonical SMILES for 2-(azetidin-3-yl)-1-(3,4-dihydro-2H-chromen-8-yl)ethanone is O=C(CC1CNC1)c1cccc2c1OCCC2.
What is the InChIKey of 2-(azetidin-3-yl)-1-(3,4-dihydro-2H-chromen-8-yl)ethanone?
The InChIKey is RBQUZXIPLPQEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c16-13(7-10-8-15-9-10)12-5-1-3-11-4-2-6-17-14(11)12/h1,3,5,10,15H,2,4,6-9H2.
What are the key properties of 2-(azetidin-3-yl)-1-(3,4-dihydro-2H-chromen-8-yl)ethanone?
2-(azetidin-3-yl)-1-(3,4-dihydro-2H-chromen-8-yl)ethanone has a molecular weight of 231.29 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-1-(3,4-dihydro-2H-chromen-8-yl)ethanone is sourced from PubChem (CID 114747936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).