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

C11H17NO2 — CID 102648423

IUPAC2-(1-aminocyclobutyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
SMILESNC1(CC(=O)C2=CCCCO2)CCC1
InChIInChI=1S/C11H17NO2/c12-11(5-3-6-11)8-9(13)10-4-1-2-7-14-10/h4H,1-3,5-8,12H2
InChIKeyHFMQFPACGCPLHO-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.52
Rot. Bonds3

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

2-(1-aminocyclobutyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone (PubChem CID 102648423) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
PubChem CID102648423
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-(1-aminocyclobutyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
SMILESNC1(CC(=O)C2=CCCCO2)CCC1
InChIInChI=1S/C11H17NO2/c12-11(5-3-6-11)8-9(13)10-4-1-2-7-14-10/h4H,1-3,5-8,12H2
InChIKeyHFMQFPACGCPLHO-UHFFFAOYSA-N
XLogP1.52
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one
CID 102648355
2-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylpropan-1-one
CID 102648313
3,4-dihydro-2H-pyran-6-yl-(1-ethoxycyclopentyl)methanone
CID 102647051
1-(3,4-dihydro-2H-pyran-6-yl)-2-(propan-2-ylamino)ethanone
CID 102648293
1-(3,4-dihydro-2H-pyran-6-yl)hexan-1-one
CID 102648616
3,4-dihydro-2H-pyran-6-yl-(1-ethoxycycloheptyl)methanone
CID 102647062
3,4-dihydro-2H-pyran-6-yl-(1-methylcyclohexyl)methanone
CID 106829748
2-(1-aminocyclohexyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanone
CID 116579044
2-(1-aminocyclobutyl)-1-(3-bromofuran-2-yl)ethanone
CID 116591258
2,3-dihydrofuran-5-yl-(1-methoxycyclobutyl)methanone
CID 102651113
(4-aminophenyl)-(3,4-dihydro-2H-pyran-6-yl)methanone
CID 102648271
2-(1-aminocyclobutyl)-1-(4-phenylphenyl)ethanone
CID 116591184

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone?
The IUPAC name of 2-(1-aminocyclobutyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone (CID 102648423) is 2-(1-aminocyclobutyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone.
What is the SMILES notation for 2-(1-aminocyclobutyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone?
The canonical SMILES for 2-(1-aminocyclobutyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone is NC1(CC(=O)C2=CCCCO2)CCC1.
What is the InChIKey of 2-(1-aminocyclobutyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone?
The InChIKey is HFMQFPACGCPLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c12-11(5-3-6-11)8-9(13)10-4-1-2-7-14-10/h4H,1-3,5-8,12H2.
What are the key properties of 2-(1-aminocyclobutyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone?
2-(1-aminocyclobutyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone has a molecular weight of 195.26 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone is sourced from PubChem (CID 102648423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).