4-aminohepta-5,6-dienoic acid

C7H11NO2 — CID 10261186

IUPAC4-aminohepta-5,6-dienoic acid
SMILESC=C=CC(N)CCC(=O)O
InChIInChI=1S/C7H11NO2/c1-2-3-6(8)4-5-7(9)10/h3,6H,1,4-5,8H2,(H,9,10)
InChIKeyXWILORJMRMFKPM-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.52
Rot. Bonds4

About 4-aminohepta-5,6-dienoic acid

4-aminohepta-5,6-dienoic acid (PubChem CID 10261186) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 4-aminohepta-5,6-dienoic acid.

Molecular Properties

Compound Name4-aminohepta-5,6-dienoic acid
PubChem CID10261186
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name4-aminohepta-5,6-dienoic acid
SMILESC=C=CC(N)CCC(=O)O
InChIInChI=1S/C7H11NO2/c1-2-3-6(8)4-5-7(9)10/h3,6H,1,4-5,8H2,(H,9,10)
InChIKeyXWILORJMRMFKPM-UHFFFAOYSA-N
XLogP0.52
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-aminohepta-5,6-dienoic acid?
The IUPAC name of 4-aminohepta-5,6-dienoic acid (CID 10261186) is 4-aminohepta-5,6-dienoic acid.
What is the SMILES notation for 4-aminohepta-5,6-dienoic acid?
The canonical SMILES for 4-aminohepta-5,6-dienoic acid is C=C=CC(N)CCC(=O)O.
What is the InChIKey of 4-aminohepta-5,6-dienoic acid?
The InChIKey is XWILORJMRMFKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-2-3-6(8)4-5-7(9)10/h3,6H,1,4-5,8H2,(H,9,10).
What are the key properties of 4-aminohepta-5,6-dienoic acid?
4-aminohepta-5,6-dienoic acid has a molecular weight of 141.17 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminohepta-5,6-dienoic acid is sourced from PubChem (CID 10261186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).