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

C10H17NO3 — CID 102648339

IUPAC2-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methoxybutan-1-one
SMILESCOCCC(N)C(=O)C1=CCCCO1
InChIInChI=1S/C10H17NO3/c1-13-7-5-8(11)10(12)9-4-2-3-6-14-9/h4,8H,2-3,5-7,11H2,1H3
InChIKeyIRFCGNWWQBIOIT-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.61
Rot. Bonds5

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

2-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methoxybutan-1-one (PubChem CID 102648339) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methoxybutan-1-one.

Molecular Properties

Compound Name2-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methoxybutan-1-one
PubChem CID102648339
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name2-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methoxybutan-1-one
SMILESCOCCC(N)C(=O)C1=CCCCO1
InChIInChI=1S/C10H17NO3/c1-13-7-5-8(11)10(12)9-4-2-3-6-14-9/h4,8H,2-3,5-7,11H2,1H3
InChIKeyIRFCGNWWQBIOIT-UHFFFAOYSA-N
XLogP0.61
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methoxybutan-1-one?
The IUPAC name of 2-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methoxybutan-1-one (CID 102648339) is 2-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methoxybutan-1-one.
What is the SMILES notation for 2-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methoxybutan-1-one?
The canonical SMILES for 2-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methoxybutan-1-one is COCCC(N)C(=O)C1=CCCCO1.
What is the InChIKey of 2-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methoxybutan-1-one?
The InChIKey is IRFCGNWWQBIOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-13-7-5-8(11)10(12)9-4-2-3-6-14-9/h4,8H,2-3,5-7,11H2,1H3.
What are the key properties of 2-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methoxybutan-1-one?
2-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methoxybutan-1-one has a molecular weight of 199.25 g/mol, XLogP of 0.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3,4-dihydro-2H-pyran-6-yl)-4-methoxybutan-1-one is sourced from PubChem (CID 102648339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).