azane;N,N-dimethylformamide;terephthalic acid

C11H16N2O5 — CID 174728158

IUPACazane;N,N-dimethylformamide;terephthalic acid
SMILESCN(C)C=O.N.O=C(O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C8H6O4.C3H7NO.H3N/c9-7(10)5-1-2-6(4-3-5)8(11)12;1-4(2)3-5;/h1-4H,(H,9,10)(H,11,12);3H,1-2H3;1H3
InChIKeyQZWNSILADIHUEO-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.95
Rot. Bonds3

About azane;N,N-dimethylformamide;terephthalic acid

azane;N,N-dimethylformamide;terephthalic acid (PubChem CID 174728158) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is azane;N,N-dimethylformamide;terephthalic acid.

Molecular Properties

Compound Nameazane;N,N-dimethylformamide;terephthalic acid
PubChem CID174728158
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Nameazane;N,N-dimethylformamide;terephthalic acid
SMILESCN(C)C=O.N.O=C(O)c1ccc(C(=O)O)cc1
InChIInChI=1S/C8H6O4.C3H7NO.H3N/c9-7(10)5-1-2-6(4-3-5)8(11)12;1-4(2)3-5;/h1-4H,(H,9,10)(H,11,12);3H,1-2H3;1H3
InChIKeyQZWNSILADIHUEO-UHFFFAOYSA-N
XLogP0.95
TPSA129.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

bis(N,N-dimethylformamide);4-[4-[1,2,2-tris[4-(4-carboxyphenyl)phenyl]ethenyl]phenyl]benzoic acid
CID 139185869
carbon monoxide;[4-carboxy-N-(sulfidomethyl)anilino]methanethiolate;N,N-dimethylformamide;iron
CID 139240249
terephthalic acid
CID 160582437
N,N-dimethylformamide;4-(1,3-dioxoisoindol-2-yl)benzoic acid
CID 139070471
acetic acid;terephthalic acid
CID 158530154
chromium;terephthalic acid
CID 87187082
bismuthane;terephthalic acid
CID 173299583
terephthalic acid;dihydrofluoride
CID 70485309
bis(prop-1-ene);terephthalic acid
CID 159254525
acetaldehyde;4-methylbenzoic acid
CID 88694515
CID 69397190
CID 69397190
4-(dimethylamino)benzoic acid;hydrochloride
CID 67236590

Frequently Asked Questions

What is the IUPAC name of azane;N,N-dimethylformamide;terephthalic acid?
The IUPAC name of azane;N,N-dimethylformamide;terephthalic acid (CID 174728158) is azane;N,N-dimethylformamide;terephthalic acid.
What is the SMILES notation for azane;N,N-dimethylformamide;terephthalic acid?
The canonical SMILES for azane;N,N-dimethylformamide;terephthalic acid is CN(C)C=O.N.O=C(O)c1ccc(C(=O)O)cc1.
What is the InChIKey of azane;N,N-dimethylformamide;terephthalic acid?
The InChIKey is QZWNSILADIHUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O4.C3H7NO.H3N/c9-7(10)5-1-2-6(4-3-5)8(11)12;1-4(2)3-5;/h1-4H,(H,9,10)(H,11,12);3H,1-2H3;1H3.
What are the key properties of azane;N,N-dimethylformamide;terephthalic acid?
azane;N,N-dimethylformamide;terephthalic acid has a molecular weight of 256.26 g/mol, XLogP of 0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;N,N-dimethylformamide;terephthalic acid is sourced from PubChem (CID 174728158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).