2-(cyclopropylmethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone

C11H17NO2 — CID 102648303

IUPAC2-(cyclopropylmethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
SMILESO=C(CNCC1CC1)C1=CCCCO1
InChIInChI=1S/C11H17NO2/c13-10(8-12-7-9-4-5-9)11-3-1-2-6-14-11/h3,9,12H,1-2,4-8H2
InChIKeyGXOAYJBRYAHJBC-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.25
Rot. Bonds5

About 2-(cyclopropylmethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone

2-(cyclopropylmethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone (PubChem CID 102648303) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
PubChem CID102648303
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-(cyclopropylmethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
SMILESO=C(CNCC1CC1)C1=CCCCO1
InChIInChI=1S/C11H17NO2/c13-10(8-12-7-9-4-5-9)11-3-1-2-6-14-11/h3,9,12H,1-2,4-8H2
InChIKeyGXOAYJBRYAHJBC-UHFFFAOYSA-N
XLogP1.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-pyran-6-yl)-2-(methylamino)ethan-1-one
CID 84020971
1-(3,4-dihydro-2H-pyran-6-yl)-2-(propan-2-ylamino)ethanone
CID 102648293
2-(cyclopropylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
CID 102648294
2-(butan-2-ylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
CID 102648298
2-(cyclopentylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
CID 102648308
3-(cyclopropylamino)-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one
CID 102648309
1-(3,4-dihydro-2H-pyran-6-yl)-2-(ethylamino)ethanone
CID 102648322
1-(3,4-dihydro-2H-pyran-6-yl)-2-(propylamino)ethanone
CID 102648323
1-(3,4-dihydro-2H-pyran-6-yl)-3-(ethylamino)-2-methylpropan-1-one
CID 102648332
1-(3,4-dihydro-2H-pyran-6-yl)-2-(ethylamino)-2-methylpropan-1-one
CID 102648335
2-(tert-butylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
CID 102648415
1-(3,4-dihydro-2H-pyran-6-yl)-2-(prop-2-ynylamino)ethanone
CID 102648417

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone?
The IUPAC name of 2-(cyclopropylmethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone (CID 102648303) is 2-(cyclopropylmethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone.
What is the SMILES notation for 2-(cyclopropylmethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone?
The canonical SMILES for 2-(cyclopropylmethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone is O=C(CNCC1CC1)C1=CCCCO1.
What is the InChIKey of 2-(cyclopropylmethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone?
The InChIKey is GXOAYJBRYAHJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c13-10(8-12-7-9-4-5-9)11-3-1-2-6-14-11/h3,9,12H,1-2,4-8H2.
What are the key properties of 2-(cyclopropylmethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone?
2-(cyclopropylmethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone has a molecular weight of 195.26 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone is sourced from PubChem (CID 102648303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).