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

C10H17NO2 — CID 102648293

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-2-(propan-2-ylamino)ethanone
SMILESCC(C)NCC(=O)C1=CCCCO1
InChIInChI=1S/C10H17NO2/c1-8(2)11-7-9(12)10-5-3-4-6-13-10/h5,8,11H,3-4,6-7H2,1-2H3
InChIKeyLEUFRZADRJYACL-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.25
Rot. Bonds4

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

1-(3,4-dihydro-2H-pyran-6-yl)-2-(propan-2-ylamino)ethanone (PubChem CID 102648293) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-2-(propan-2-ylamino)ethanone.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-2-(propan-2-ylamino)ethanone
PubChem CID102648293
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-2-(propan-2-ylamino)ethanone
SMILESCC(C)NCC(=O)C1=CCCCO1
InChIInChI=1S/C10H17NO2/c1-8(2)11-7-9(12)10-5-3-4-6-13-10/h5,8,11H,3-4,6-7H2,1-2H3
InChIKeyLEUFRZADRJYACL-UHFFFAOYSA-N
XLogP1.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-(3,4-dihydro-2H-pyran-6-yl)-3-methylbutan-1-one
CID 102648441
4-amino-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one
CID 102648355
1-(3,4-dihydro-2H-pyran-6-yl)hexan-1-one
CID 102648616
3-(4-aminophenyl)-1-(3,4-dihydro-2H-pyran-6-yl)butan-1-one
CID 102648498
4-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylbutan-1-one
CID 102648435
1-(3,4-dihydro-2H-pyran-6-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 102648692
2-(4-tert-butyl-2,6-dimethylphenyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
CID 102646790
2-(1-aminocyclobutyl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
CID 102648423
1-(3,4-dihydro-2H-pyran-6-yl)-3-ethyl-2-hydroxypentan-1-one
CID 103458414
N-[(2R)-2-anilinopropyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 97234715
2-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylpropan-1-one
CID 102648313
2-(aminomethyl)-1-(3,4-dihydro-2H-pyran-6-yl)pentan-1-one
CID 102648365

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-(propan-2-ylamino)ethanone?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-(propan-2-ylamino)ethanone (CID 102648293) is 1-(3,4-dihydro-2H-pyran-6-yl)-2-(propan-2-ylamino)ethanone.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2-(propan-2-ylamino)ethanone?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2-(propan-2-ylamino)ethanone is CC(C)NCC(=O)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2-(propan-2-ylamino)ethanone?
The InChIKey is LEUFRZADRJYACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8(2)11-7-9(12)10-5-3-4-6-13-10/h5,8,11H,3-4,6-7H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2-(propan-2-ylamino)ethanone?
1-(3,4-dihydro-2H-pyran-6-yl)-2-(propan-2-ylamino)ethanone has a molecular weight of 183.25 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)-2-(propan-2-ylamino)ethanone is sourced from PubChem (CID 102648293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).