(3E)-3-(aminomethylidene)cyclopenta-1,4-diene-1-carboxylic acid

C7H7NO2 — CID 139242656

IUPAC(3E)-3-(aminomethylidene)cyclopenta-1,4-diene-1-carboxylic acid
SMILESN/C=C1\C=CC(C(=O)O)=C1
InChIInChI=1S/C7H7NO2/c8-4-5-1-2-6(3-5)7(9)10/h1-4H,8H2,(H,9,10)/b5-4+
InChIKeyHYTYLMIUFOWZSJ-SNAWJCMRSA-N
MW137.14 g/mol
LogP0.41
Rot. Bonds1

About (3E)-3-(aminomethylidene)cyclopenta-1,4-diene-1-carboxylic acid

(3E)-3-(aminomethylidene)cyclopenta-1,4-diene-1-carboxylic acid (PubChem CID 139242656) has the molecular formula C7H7NO2 and a molecular weight of 137.14 g/mol. Its IUPAC name is (3E)-3-(aminomethylidene)cyclopenta-1,4-diene-1-carboxylic acid.

Molecular Properties

Compound Name(3E)-3-(aminomethylidene)cyclopenta-1,4-diene-1-carboxylic acid
PubChem CID139242656
Molecular FormulaC7H7NO2
Molecular Weight137.14 g/mol
Exact Mass137.05
IUPAC Name(3E)-3-(aminomethylidene)cyclopenta-1,4-diene-1-carboxylic acid
SMILESN/C=C1\C=CC(C(=O)O)=C1
InChIInChI=1S/C7H7NO2/c8-4-5-1-2-6(3-5)7(9)10/h1-4H,8H2,(H,9,10)/b5-4+
InChIKeyHYTYLMIUFOWZSJ-SNAWJCMRSA-N
XLogP0.41
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-(aminomethylidene)cyclopenta-1,4-diene-1-carboxylic acid?
The IUPAC name of (3E)-3-(aminomethylidene)cyclopenta-1,4-diene-1-carboxylic acid (CID 139242656) is (3E)-3-(aminomethylidene)cyclopenta-1,4-diene-1-carboxylic acid.
What is the SMILES notation for (3E)-3-(aminomethylidene)cyclopenta-1,4-diene-1-carboxylic acid?
The canonical SMILES for (3E)-3-(aminomethylidene)cyclopenta-1,4-diene-1-carboxylic acid is N/C=C1\C=CC(C(=O)O)=C1.
What is the InChIKey of (3E)-3-(aminomethylidene)cyclopenta-1,4-diene-1-carboxylic acid?
The InChIKey is HYTYLMIUFOWZSJ-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H7NO2/c8-4-5-1-2-6(3-5)7(9)10/h1-4H,8H2,(H,9,10)/b5-4+.
What are the key properties of (3E)-3-(aminomethylidene)cyclopenta-1,4-diene-1-carboxylic acid?
(3E)-3-(aminomethylidene)cyclopenta-1,4-diene-1-carboxylic acid has a molecular weight of 137.14 g/mol, XLogP of 0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(aminomethylidene)cyclopenta-1,4-diene-1-carboxylic acid is sourced from PubChem (CID 139242656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).