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

C15H19NO2 — CID 114748122

IUPAC2-(azetidin-3-yl)-1-(3,4-dihydro-2H-chromen-8-yl)propan-1-one
SMILESCC(C(=O)c1cccc2c1OCCC2)C1CNC1
InChIInChI=1S/C15H19NO2/c1-10(12-8-16-9-12)14(17)13-6-2-4-11-5-3-7-18-15(11)13/h2,4,6,10,12,16H,3,5,7-9H2,1H3
InChIKeyMROBGGGJXPPQKS-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.05
Rot. Bonds3

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

2-(azetidin-3-yl)-1-(3,4-dihydro-2H-chromen-8-yl)propan-1-one (PubChem CID 114748122) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-1-(3,4-dihydro-2H-chromen-8-yl)propan-1-one.

Molecular Properties

Compound Name2-(azetidin-3-yl)-1-(3,4-dihydro-2H-chromen-8-yl)propan-1-one
PubChem CID114748122
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2-(azetidin-3-yl)-1-(3,4-dihydro-2H-chromen-8-yl)propan-1-one
SMILESCC(C(=O)c1cccc2c1OCCC2)C1CNC1
InChIInChI=1S/C15H19NO2/c1-10(12-8-16-9-12)14(17)13-6-2-4-11-5-3-7-18-15(11)13/h2,4,6,10,12,16H,3,5,7-9H2,1H3
InChIKeyMROBGGGJXPPQKS-UHFFFAOYSA-N
XLogP2.05
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azetidin-3-yl)-1-(2,3-dihydro-1-benzofuran-7-yl)propan-1-one
CID 114748121
1-(3,4-dihydro-2H-chromen-8-yl)ethanone
CID 82599043
2-(azetidin-3-yl)-1-(3,4-dihydro-2H-chromen-8-yl)ethanone
CID 114747936
(2R)-2-amino-1-(3,4-dihydro-2H-chromen-8-yl)-2-phenylethanone
CID 104952320
1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylbutan-1-one
CID 114744106
2,3-dihydro-1-benzofuran-7-yl-(4-methylpyrrolidin-3-yl)methanone
CID 114747881
2-(butan-2-ylamino)-1-(3,4-dihydro-2H-chromen-8-yl)ethanone
CID 114747793
(E)-1-(3,4-dihydro-2H-chromen-8-yl)pent-2-en-1-one
CID 103454118
1-(2,3-dihydro-1-benzofuran-7-yl)-2-methylpentan-1-one
CID 115814227
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
(Z)-1-(3,4-dihydro-2H-chromen-8-yl)-2-ethylbut-2-en-1-one
CID 103447275

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-1-(3,4-dihydro-2H-chromen-8-yl)propan-1-one?
The IUPAC name of 2-(azetidin-3-yl)-1-(3,4-dihydro-2H-chromen-8-yl)propan-1-one (CID 114748122) is 2-(azetidin-3-yl)-1-(3,4-dihydro-2H-chromen-8-yl)propan-1-one.
What is the SMILES notation for 2-(azetidin-3-yl)-1-(3,4-dihydro-2H-chromen-8-yl)propan-1-one?
The canonical SMILES for 2-(azetidin-3-yl)-1-(3,4-dihydro-2H-chromen-8-yl)propan-1-one is CC(C(=O)c1cccc2c1OCCC2)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-1-(3,4-dihydro-2H-chromen-8-yl)propan-1-one?
The InChIKey is MROBGGGJXPPQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-10(12-8-16-9-12)14(17)13-6-2-4-11-5-3-7-18-15(11)13/h2,4,6,10,12,16H,3,5,7-9H2,1H3.
What are the key properties of 2-(azetidin-3-yl)-1-(3,4-dihydro-2H-chromen-8-yl)propan-1-one?
2-(azetidin-3-yl)-1-(3,4-dihydro-2H-chromen-8-yl)propan-1-one has a molecular weight of 245.32 g/mol, XLogP of 2.05, 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)propan-1-one is sourced from PubChem (CID 114748122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).