2-amino-1-(3,4-dihydro-2H-pyran-5-yl)-2-methylbutan-1-one

C10H17NO2 — CID 116590494

IUPAC2-amino-1-(3,4-dihydro-2H-pyran-5-yl)-2-methylbutan-1-one
SMILESCCC(C)(N)C(=O)C1=COCCC1
InChIInChI=1S/C10H17NO2/c1-3-10(2,11)9(12)8-5-4-6-13-7-8/h7H,3-6,11H2,1-2H3
InChIKeyFJDPGMBJKASCNC-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.38
Rot. Bonds3

About 2-amino-1-(3,4-dihydro-2H-pyran-5-yl)-2-methylbutan-1-one

2-amino-1-(3,4-dihydro-2H-pyran-5-yl)-2-methylbutan-1-one (PubChem CID 116590494) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-amino-1-(3,4-dihydro-2H-pyran-5-yl)-2-methylbutan-1-one.

Molecular Properties

Compound Name2-amino-1-(3,4-dihydro-2H-pyran-5-yl)-2-methylbutan-1-one
PubChem CID116590494
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-amino-1-(3,4-dihydro-2H-pyran-5-yl)-2-methylbutan-1-one
SMILESCCC(C)(N)C(=O)C1=COCCC1
InChIInChI=1S/C10H17NO2/c1-3-10(2,11)9(12)8-5-4-6-13-7-8/h7H,3-6,11H2,1-2H3
InChIKeyFJDPGMBJKASCNC-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3,4-dihydro-2H-pyran-5-yl)-2-methylbutan-1-one?
The IUPAC name of 2-amino-1-(3,4-dihydro-2H-pyran-5-yl)-2-methylbutan-1-one (CID 116590494) is 2-amino-1-(3,4-dihydro-2H-pyran-5-yl)-2-methylbutan-1-one.
What is the SMILES notation for 2-amino-1-(3,4-dihydro-2H-pyran-5-yl)-2-methylbutan-1-one?
The canonical SMILES for 2-amino-1-(3,4-dihydro-2H-pyran-5-yl)-2-methylbutan-1-one is CCC(C)(N)C(=O)C1=COCCC1.
What is the InChIKey of 2-amino-1-(3,4-dihydro-2H-pyran-5-yl)-2-methylbutan-1-one?
The InChIKey is FJDPGMBJKASCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-3-10(2,11)9(12)8-5-4-6-13-7-8/h7H,3-6,11H2,1-2H3.
What are the key properties of 2-amino-1-(3,4-dihydro-2H-pyran-5-yl)-2-methylbutan-1-one?
2-amino-1-(3,4-dihydro-2H-pyran-5-yl)-2-methylbutan-1-one has a molecular weight of 183.25 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3,4-dihydro-2H-pyran-5-yl)-2-methylbutan-1-one is sourced from PubChem (CID 116590494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).