azane;furan-2,5-dione;2,2,4-trimethylpentane

C12H23NO3 — CID 170852244

IUPACazane;furan-2,5-dione;2,2,4-trimethylpentane
SMILESCC(C)CC(C)(C)C.N.O=C1C=CC(=O)O1
InChIInChI=1S/C8H18.C4H2O3.H3N/c1-7(2)6-8(3,4)5;5-3-1-2-4(6)7-3;/h7H,6H2,1-5H3;1-2H;1H3
InChIKeyHNARZHMISXBOQJ-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.87
Rot. Bonds1

About azane;furan-2,5-dione;2,2,4-trimethylpentane

azane;furan-2,5-dione;2,2,4-trimethylpentane (PubChem CID 170852244) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is azane;furan-2,5-dione;2,2,4-trimethylpentane.

Molecular Properties

Compound Nameazane;furan-2,5-dione;2,2,4-trimethylpentane
PubChem CID170852244
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nameazane;furan-2,5-dione;2,2,4-trimethylpentane
SMILESCC(C)CC(C)(C)C.N.O=C1C=CC(=O)O1
InChIInChI=1S/C8H18.C4H2O3.H3N/c1-7(2)6-8(3,4)5;5-3-1-2-4(6)7-3;/h7H,6H2,1-5H3;1-2H;1H3
InChIKeyHNARZHMISXBOQJ-UHFFFAOYSA-N
XLogP2.87
TPSA78.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethylpropane-1,3-diol;furan-2,5-dione;propane-1,2-diol
CID 6452514
acetic acid;2,2,4-trimethylpentane;hydrate
CID 159555520
furan-2,5-dione;3-methylbutane-1,3-diol
CID 170851722
1-(2,4-dimethylpentan-2-yl)pyrrole-2,5-dione
CID 123254640
2,4,4-trimethylpentanal;2,2,4-trimethylpentane
CID 172777004
N-hydroxyacetamide;2,2,4-trimethylpentane
CID 153344333
pentacontane;2,2,4-trimethylpentane
CID 174882537
furan-2,5-dione;hexa-2,4-diene
CID 175511286
(5Z,12Z)-1,3,8,10-tetraoxacyclotetradeca-5,12-diene-2,4,7,9,11,14-hexone
CID 151006147
furan-2,5-dione;1-methoxy-2-(2-methoxyethoxy)ethane
CID 175402804
2-aminoethanethiol;furan-2,5-dione
CID 174187998
furan-2,5-dione;2,2,2-trichloroacetaldehyde
CID 159081208

Frequently Asked Questions

What is the IUPAC name of azane;furan-2,5-dione;2,2,4-trimethylpentane?
The IUPAC name of azane;furan-2,5-dione;2,2,4-trimethylpentane (CID 170852244) is azane;furan-2,5-dione;2,2,4-trimethylpentane.
What is the SMILES notation for azane;furan-2,5-dione;2,2,4-trimethylpentane?
The canonical SMILES for azane;furan-2,5-dione;2,2,4-trimethylpentane is CC(C)CC(C)(C)C.N.O=C1C=CC(=O)O1.
What is the InChIKey of azane;furan-2,5-dione;2,2,4-trimethylpentane?
The InChIKey is HNARZHMISXBOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18.C4H2O3.H3N/c1-7(2)6-8(3,4)5;5-3-1-2-4(6)7-3;/h7H,6H2,1-5H3;1-2H;1H3.
What are the key properties of azane;furan-2,5-dione;2,2,4-trimethylpentane?
azane;furan-2,5-dione;2,2,4-trimethylpentane has a molecular weight of 229.32 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;furan-2,5-dione;2,2,4-trimethylpentane is sourced from PubChem (CID 170852244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).