1-(3,4-dihydro-2H-pyran-6-yl)-4-(methylamino)butan-1-one

C10H17NO2 — CID 102648296

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-4-(methylamino)butan-1-one
SMILESCNCCCC(=O)C1=CCCCO1
InChIInChI=1S/C10H17NO2/c1-11-7-4-5-9(12)10-6-2-3-8-13-10/h6,11H,2-5,7-8H2,1H3
InChIKeyBGAWNXCMPUPMHR-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.25
Rot. Bonds5

About 1-(3,4-dihydro-2H-pyran-6-yl)-4-(methylamino)butan-1-one

1-(3,4-dihydro-2H-pyran-6-yl)-4-(methylamino)butan-1-one (PubChem CID 102648296) 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)-4-(methylamino)butan-1-one.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-4-(methylamino)butan-1-one
PubChem CID102648296
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-4-(methylamino)butan-1-one
SMILESCNCCCC(=O)C1=CCCCO1
InChIInChI=1S/C10H17NO2/c1-11-7-4-5-9(12)10-6-2-3-8-13-10/h6,11H,2-5,7-8H2,1H3
InChIKeyBGAWNXCMPUPMHR-UHFFFAOYSA-N
XLogP1.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,4-dihydro-2H-pyran-6-yl(piperidin-4-yl)methanone
CID 102648266
4-amino-1-(3,4-dihydro-2H-pyran-6-yl)butan-1-one
CID 102648288
1-(3,4-dihydro-2H-pyran-6-yl)-4-(propan-2-ylamino)butan-1-one
CID 102648305
1-(3,4-dihydro-2H-pyran-6-yl)-3-(methylamino)propan-1-one
CID 102648317
1-(3,4-dihydro-2H-pyran-6-yl)-3-(ethylamino)propan-1-one
CID 102648334
1-(3,4-dihydro-2H-pyran-6-yl)-3-(ethylamino)butan-1-one
CID 102648337
3,4-dihydro-2H-pyran-6-yl-(4-methylpiperidin-4-yl)methanone
CID 102648340
3,4-dihydro-2H-pyran-6-yl-(4-ethylpiperidin-4-yl)methanone
CID 102648342
3,4-dihydro-2H-pyran-6-yl-(3-methylpyrrolidin-3-yl)methanone
CID 102648349
3,4-dihydro-2H-pyran-6-yl-(3-ethylpyrrolidin-3-yl)methanone
CID 102648350
2-(azetidin-3-yl)-1-(3,4-dihydro-2H-pyran-6-yl)ethanone
CID 102648392
4-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylbutan-1-one
CID 102648435

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-4-(methylamino)butan-1-one?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-4-(methylamino)butan-1-one (CID 102648296) is 1-(3,4-dihydro-2H-pyran-6-yl)-4-(methylamino)butan-1-one.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-4-(methylamino)butan-1-one?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-4-(methylamino)butan-1-one is CNCCCC(=O)C1=CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-4-(methylamino)butan-1-one?
The InChIKey is BGAWNXCMPUPMHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-11-7-4-5-9(12)10-6-2-3-8-13-10/h6,11H,2-5,7-8H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-4-(methylamino)butan-1-one?
1-(3,4-dihydro-2H-pyran-6-yl)-4-(methylamino)butan-1-one has a molecular weight of 183.25 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 1-(3,4-dihydro-2H-pyran-6-yl)-4-(methylamino)butan-1-one is sourced from PubChem (CID 102648296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).