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

C8H13NO2 — CID 165468826

IUPAC(2R)-2-amino-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one
SMILESC[C@@H](N)C(=O)C1=CCCCO1
InChIInChI=1S/C8H13NO2/c1-6(9)8(10)7-4-2-3-5-11-7/h4,6H,2-3,5,9H2,1H3/t6-/m1/s1
InChIKeyJWPXEBIAMIUDCR-ZCFIWIBFSA-N
MW155.20 g/mol
LogP0.60
Rot. Bonds2

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

(2R)-2-amino-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one (PubChem CID 165468826) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (2R)-2-amino-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one
PubChem CID165468826
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(2R)-2-amino-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one
SMILESC[C@@H](N)C(=O)C1=CCCCO1
InChIInChI=1S/C8H13NO2/c1-6(9)8(10)7-4-2-3-5-11-7/h4,6H,2-3,5,9H2,1H3/t6-/m1/s1
InChIKeyJWPXEBIAMIUDCR-ZCFIWIBFSA-N
XLogP0.60
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one?
The IUPAC name of (2R)-2-amino-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one (CID 165468826) is (2R)-2-amino-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one.
What is the SMILES notation for (2R)-2-amino-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one?
The canonical SMILES for (2R)-2-amino-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one is C[C@@H](N)C(=O)C1=CCCCO1.
What is the InChIKey of (2R)-2-amino-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one?
The InChIKey is JWPXEBIAMIUDCR-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H13NO2/c1-6(9)8(10)7-4-2-3-5-11-7/h4,6H,2-3,5,9H2,1H3/t6-/m1/s1.
What are the key properties of (2R)-2-amino-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one?
(2R)-2-amino-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one has a molecular weight of 155.20 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(3,4-dihydro-2H-pyran-6-yl)propan-1-one is sourced from PubChem (CID 165468826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).