4-hexyl-5-iminofuran-2-one

C10H15NO2 — CID 174496846

IUPAC4-hexyl-5-iminofuran-2-one
SMILES[H]/N=C1\OC(=O)C=C1CCCCCC
InChIInChI=1S/C10H15NO2/c1-2-3-4-5-6-8-7-9(12)13-10(8)11/h7,11H,2-6H2,1H3/b11-10-
InChIKeyYHNZTESHNQIMBZ-KHPPLWFESA-N
MW181.24 g/mol
LogP2.42
Rot. Bonds5

About 4-hexyl-5-iminofuran-2-one

4-hexyl-5-iminofuran-2-one (PubChem CID 174496846) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 4-hexyl-5-iminofuran-2-one.

Molecular Properties

Compound Name4-hexyl-5-iminofuran-2-one
PubChem CID174496846
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name4-hexyl-5-iminofuran-2-one
SMILES[H]/N=C1\OC(=O)C=C1CCCCCC
InChIInChI=1S/C10H15NO2/c1-2-3-4-5-6-8-7-9(12)13-10(8)11/h7,11H,2-6H2,1H3/b11-10-
InChIKeyYHNZTESHNQIMBZ-KHPPLWFESA-N
XLogP2.42
TPSA50.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-hexylfuran-2,5-dione
CID 15882442
3-tetradecylfuran-2,5-dione
CID 10565758
5-(dibromomethylidene)-4-heptylfuran-2-one
CID 10269415
5-(bromomethylidene)-4-heptylfuran-2-one
CID 69129545
3-butylfuran-2,5-dione
CID 11030038
2,5-dipentylcyclohexa-2,5-diene-1,4-dione
CID 11149332
2,6-diheptylcyclohexa-2,5-diene-1,4-dione
CID 169217749
4-hexyl-1-methyl-5-sulfanylidenepyrrol-2-one
CID 141292545
2-heptylcyclohexa-2,5-diene-1,4-dione
CID 154029427
3-pentadecylpyrrole-2,5-dione
CID 15598201
3-docosylpyrrole-2,5-dione
CID 57312811
2-hexadecyl-5-methylcyclohexa-2,5-diene-1,4-dione
CID 91743440

Frequently Asked Questions

What is the IUPAC name of 4-hexyl-5-iminofuran-2-one?
The IUPAC name of 4-hexyl-5-iminofuran-2-one (CID 174496846) is 4-hexyl-5-iminofuran-2-one.
What is the SMILES notation for 4-hexyl-5-iminofuran-2-one?
The canonical SMILES for 4-hexyl-5-iminofuran-2-one is [H]/N=C1\OC(=O)C=C1CCCCCC.
What is the InChIKey of 4-hexyl-5-iminofuran-2-one?
The InChIKey is YHNZTESHNQIMBZ-KHPPLWFESA-N. The full InChI is InChI=1S/C10H15NO2/c1-2-3-4-5-6-8-7-9(12)13-10(8)11/h7,11H,2-6H2,1H3/b11-10-.
What are the key properties of 4-hexyl-5-iminofuran-2-one?
4-hexyl-5-iminofuran-2-one has a molecular weight of 181.24 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexyl-5-iminofuran-2-one is sourced from PubChem (CID 174496846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).