3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylbutan-1-one

C10H17NO2 — CID 102648496

IUPAC3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylbutan-1-one
SMILESCC(N)C(C)C(=O)C1=CCCCO1
InChIInChI=1S/C10H17NO2/c1-7(8(2)11)10(12)9-5-3-4-6-13-9/h5,7-8H,3-4,6,11H2,1-2H3
InChIKeyXQAGKEUNICOZAM-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.23
Rot. Bonds3

About 3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylbutan-1-one

3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylbutan-1-one (PubChem CID 102648496) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylbutan-1-one.

Molecular Properties

Compound Name3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylbutan-1-one
PubChem CID102648496
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylbutan-1-one
SMILESCC(N)C(C)C(=O)C1=CCCCO1
InChIInChI=1S/C10H17NO2/c1-7(8(2)11)10(12)9-5-3-4-6-13-9/h5,7-8H,3-4,6,11H2,1-2H3
InChIKeyXQAGKEUNICOZAM-UHFFFAOYSA-N
XLogP1.23
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylbutan-1-one?
The IUPAC name of 3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylbutan-1-one (CID 102648496) is 3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylbutan-1-one.
What is the SMILES notation for 3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylbutan-1-one?
The canonical SMILES for 3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylbutan-1-one is CC(N)C(C)C(=O)C1=CCCCO1.
What is the InChIKey of 3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylbutan-1-one?
The InChIKey is XQAGKEUNICOZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-7(8(2)11)10(12)9-5-3-4-6-13-9/h5,7-8H,3-4,6,11H2,1-2H3.
What are the key properties of 3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylbutan-1-one?
3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylbutan-1-one has a molecular weight of 183.25 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3,4-dihydro-2H-pyran-6-yl)-2-methylbutan-1-one is sourced from PubChem (CID 102648496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).