6-amino-1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-one

C15H21NO2 — CID 116571971

IUPAC6-amino-1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-one
SMILESNCCCCC(=O)CC1CCOc2ccccc21
InChIInChI=1S/C15H21NO2/c16-9-4-3-5-13(17)11-12-8-10-18-15-7-2-1-6-14(12)15/h1-2,6-7,12H,3-5,8-11,16H2
InChIKeyOHKXXJWRBCUXPI-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.64
Rot. Bonds6

About 6-amino-1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-one

6-amino-1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-one (PubChem CID 116571971) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 6-amino-1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-one.

Molecular Properties

Compound Name6-amino-1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-one
PubChem CID116571971
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name6-amino-1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-one
SMILESNCCCCC(=O)CC1CCOc2ccccc21
InChIInChI=1S/C15H21NO2/c16-9-4-3-5-13(17)11-12-8-10-18-15-7-2-1-6-14(12)15/h1-2,6-7,12H,3-5,8-11,16H2
InChIKeyOHKXXJWRBCUXPI-UHFFFAOYSA-N
XLogP2.64
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.64
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

1-(3,4-dihydro-2H-chromen-4-yl)nonan-2-one
CID 115798863
1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-one
CID 104769879
1-(3,4-dihydro-2H-chromen-4-yl)pentan-2-one
CID 104769754
1-(3,4-dihydro-2H-chromen-4-yl)-4-phenylbutan-2-one
CID 104769764
1-(3,4-dihydro-2H-chromen-4-yl)-3-(dimethylamino)propan-2-one
CID 104769876
[(4R)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887493
[(4S)-3,4-dihydro-2H-chromen-4-yl]methanamine
CID 51887495
1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 14203080
1-(4-chlorophenyl)-3-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 104769739
1-(3,4-dihydro-2H-chromen-4-yl)-3-phenoxypropan-2-one
CID 104769789
2-(3,4-dihydro-2H-chromen-4-yl)ethanamine;hydrochloride
CID 175798234
1-(3,4-dihydro-2H-chromen-4-yl)heptan-4-one
CID 104771801

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-one?
The IUPAC name of 6-amino-1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-one (CID 116571971) is 6-amino-1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-one.
What is the SMILES notation for 6-amino-1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-one?
The canonical SMILES for 6-amino-1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-one is NCCCCC(=O)CC1CCOc2ccccc21.
What is the InChIKey of 6-amino-1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-one?
The InChIKey is OHKXXJWRBCUXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c16-9-4-3-5-13(17)11-12-8-10-18-15-7-2-1-6-14(12)15/h1-2,6-7,12H,3-5,8-11,16H2.
What are the key properties of 6-amino-1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-one?
6-amino-1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-one has a molecular weight of 247.34 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-(3,4-dihydro-2H-chromen-4-yl)hexan-2-one is sourced from PubChem (CID 116571971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).