1-(4-amino-3-methyloxolan-3-yl)nonan-1-one

C14H27NO2 — CID 116562995

IUPAC1-(4-amino-3-methyloxolan-3-yl)nonan-1-one
SMILESCCCCCCCCC(=O)C1(C)COCC1N
InChIInChI=1S/C14H27NO2/c1-3-4-5-6-7-8-9-13(16)14(2)11-17-10-12(14)15/h12H,3-11,15H2,1-2H3
InChIKeyLFPVXDDWIJLAGL-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.67
Rot. Bonds8

About 1-(4-amino-3-methyloxolan-3-yl)nonan-1-one

1-(4-amino-3-methyloxolan-3-yl)nonan-1-one (PubChem CID 116562995) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 1-(4-amino-3-methyloxolan-3-yl)nonan-1-one.

Molecular Properties

Compound Name1-(4-amino-3-methyloxolan-3-yl)nonan-1-one
PubChem CID116562995
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name1-(4-amino-3-methyloxolan-3-yl)nonan-1-one
SMILESCCCCCCCCC(=O)C1(C)COCC1N
InChIInChI=1S/C14H27NO2/c1-3-4-5-6-7-8-9-13(16)14(2)11-17-10-12(14)15/h12H,3-11,15H2,1-2H3
InChIKeyLFPVXDDWIJLAGL-UHFFFAOYSA-N
XLogP2.67
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.67
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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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-methyloxolan-3-yl)nonan-1-one?
The IUPAC name of 1-(4-amino-3-methyloxolan-3-yl)nonan-1-one (CID 116562995) is 1-(4-amino-3-methyloxolan-3-yl)nonan-1-one.
What is the SMILES notation for 1-(4-amino-3-methyloxolan-3-yl)nonan-1-one?
The canonical SMILES for 1-(4-amino-3-methyloxolan-3-yl)nonan-1-one is CCCCCCCCC(=O)C1(C)COCC1N.
What is the InChIKey of 1-(4-amino-3-methyloxolan-3-yl)nonan-1-one?
The InChIKey is LFPVXDDWIJLAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-3-4-5-6-7-8-9-13(16)14(2)11-17-10-12(14)15/h12H,3-11,15H2,1-2H3.
What are the key properties of 1-(4-amino-3-methyloxolan-3-yl)nonan-1-one?
1-(4-amino-3-methyloxolan-3-yl)nonan-1-one has a molecular weight of 241.37 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-methyloxolan-3-yl)nonan-1-one is sourced from PubChem (CID 116562995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).