bis(4-aminobenzoic acid);ethene

C18H22N2O4 — CID 158776608

IUPACbis(4-aminobenzoic acid);ethene
SMILESC=C.C=C.Nc1ccc(C(=O)O)cc1.Nc1ccc(C(=O)O)cc1
InChIInChI=1S/2C7H7NO2.2C2H4/c2*8-6-3-1-5(2-4-6)7(9)10;2*1-2/h2*1-4H,8H2,(H,9,10);2*1-2H2
InChIKeyIQNXCLYBCROZOO-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.54
Rot. Bonds2

About bis(4-aminobenzoic acid);ethene

bis(4-aminobenzoic acid);ethene (PubChem CID 158776608) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is bis(4-aminobenzoic acid);ethene.

Molecular Properties

Compound Namebis(4-aminobenzoic acid);ethene
PubChem CID158776608
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Namebis(4-aminobenzoic acid);ethene
SMILESC=C.C=C.Nc1ccc(C(=O)O)cc1.Nc1ccc(C(=O)O)cc1
InChIInChI=1S/2C7H7NO2.2C2H4/c2*8-6-3-1-5(2-4-6)7(9)10;2*1-2/h2*1-4H,8H2,(H,9,10);2*1-2H2
InChIKeyIQNXCLYBCROZOO-UHFFFAOYSA-N
XLogP3.54
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-aminobenzoic acid;hydrofluoride
CID 159690577
ethene;terephthalic acid
CID 18755810
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CID 67913871
bis(4-aminobenzoic acid);dihydroxy(oxo)azanium;silver;hydrate
CID 6395154
hexakis(4-aminobenzoic acid);tris(1,4,7,10,13,16-hexaoxacyclooctadecane)
CID 139064226
terephthalic acid
CID 160582437
4-amino-3-deuteriobenzoic acid
CID 175767328
benzene-1,4-diamine;naphthalene-2,6-dicarboxylic acid
CID 175159598
4-aminobenzoic acid;4-aminophthalic acid
CID 69300442
bis(4-aminobenzoic acid);oxolane
CID 66588912
4-aminobenzoic acid;4-N,4-N-dimethylbenzene-1,4-diamine
CID 144734736
4-[4-(4-aminophenyl)buta-1,3-dienyl]benzoic acid
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Frequently Asked Questions

What is the IUPAC name of bis(4-aminobenzoic acid);ethene?
The IUPAC name of bis(4-aminobenzoic acid);ethene (CID 158776608) is bis(4-aminobenzoic acid);ethene.
What is the SMILES notation for bis(4-aminobenzoic acid);ethene?
The canonical SMILES for bis(4-aminobenzoic acid);ethene is C=C.C=C.Nc1ccc(C(=O)O)cc1.Nc1ccc(C(=O)O)cc1.
What is the InChIKey of bis(4-aminobenzoic acid);ethene?
The InChIKey is IQNXCLYBCROZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H7NO2.2C2H4/c2*8-6-3-1-5(2-4-6)7(9)10;2*1-2/h2*1-4H,8H2,(H,9,10);2*1-2H2.
What are the key properties of bis(4-aminobenzoic acid);ethene?
bis(4-aminobenzoic acid);ethene has a molecular weight of 330.38 g/mol, XLogP of 3.54, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-aminobenzoic acid);ethene is sourced from PubChem (CID 158776608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).