2-amino-6-pentylpyran-4-one

C10H15NO2 — CID 87438553

IUPAC2-amino-6-pentylpyran-4-one
SMILESCCCCCc1cc(=O)cc(N)o1
InChIInChI=1S/C10H15NO2/c1-2-3-4-5-9-6-8(12)7-10(11)13-9/h6-7H,2-5,11H2,1H3
InChIKeyXDEOUZHEFBBBOY-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.95
Rot. Bonds4

About 2-amino-6-pentylpyran-4-one

2-amino-6-pentylpyran-4-one (PubChem CID 87438553) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 2-amino-6-pentylpyran-4-one.

Molecular Properties

Compound Name2-amino-6-pentylpyran-4-one
PubChem CID87438553
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name2-amino-6-pentylpyran-4-one
SMILESCCCCCc1cc(=O)cc(N)o1
InChIInChI=1S/C10H15NO2/c1-2-3-4-5-9-6-8(12)7-10(11)13-9/h6-7H,2-5,11H2,1H3
InChIKeyXDEOUZHEFBBBOY-UHFFFAOYSA-N
XLogP1.95
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.95
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

4-hydroxy-6-pentylpyran-2-one
CID 54686804
4-amino-6-pentylpyran-2-thione
CID 87438596
3-hexyl-4-methoxy-6-undecylpyran-2-one
CID 18997489
3,6-dihexyl-4-hydroxypyran-2-one
CID 54690712
2,3,5-triheptylfuran
CID 165157097
5-pentadecylfuran-2-carboxylic acid
CID 177129672
5-hexylfuran-2-carboxylic acid
CID 86015959
5-pentyl-1,2-oxazol-3-one
CID 67147275
7,16-dipentyl-6,17-dioxapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene
CID 118651498
6-undecylpyran-2-one
CID 14827366
2-hexadecylbenzo[f][1]benzofuran-4,9-dione
CID 134542826
4-hydroxy-3-pentanoyl-6-pentylpyran-2-one
CID 54736060

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-pentylpyran-4-one?
The IUPAC name of 2-amino-6-pentylpyran-4-one (CID 87438553) is 2-amino-6-pentylpyran-4-one.
What is the SMILES notation for 2-amino-6-pentylpyran-4-one?
The canonical SMILES for 2-amino-6-pentylpyran-4-one is CCCCCc1cc(=O)cc(N)o1.
What is the InChIKey of 2-amino-6-pentylpyran-4-one?
The InChIKey is XDEOUZHEFBBBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-2-3-4-5-9-6-8(12)7-10(11)13-9/h6-7H,2-5,11H2,1H3.
What are the key properties of 2-amino-6-pentylpyran-4-one?
2-amino-6-pentylpyran-4-one has a molecular weight of 181.24 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-pentylpyran-4-one is sourced from PubChem (CID 87438553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).