4-aminocyclopenta-1,4-dien-1-ol

C5H7NO — CID 163712824

IUPAC4-aminocyclopenta-1,4-dien-1-ol
SMILESNC1=CC(O)=CC1
InChIInChI=1S/C5H7NO/c6-4-1-2-5(7)3-4/h2-3,7H,1,6H2
InChIKeyKKTPWXFOHKTPLK-UHFFFAOYSA-N
MW97.12 g/mol
LogP0.67
Rot. Bonds

About 4-aminocyclopenta-1,4-dien-1-ol

4-aminocyclopenta-1,4-dien-1-ol (PubChem CID 163712824) has the molecular formula C5H7NO and a molecular weight of 97.12 g/mol. Its IUPAC name is 4-aminocyclopenta-1,4-dien-1-ol.

Molecular Properties

Compound Name4-aminocyclopenta-1,4-dien-1-ol
PubChem CID163712824
Molecular FormulaC5H7NO
Molecular Weight97.12 g/mol
Exact Mass97.05
IUPAC Name4-aminocyclopenta-1,4-dien-1-ol
SMILESNC1=CC(O)=CC1
InChIInChI=1S/C5H7NO/c6-4-1-2-5(7)3-4/h2-3,7H,1,6H2
InChIKeyKKTPWXFOHKTPLK-UHFFFAOYSA-N
XLogP0.67
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.12
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-aminocyclopenta-1,4-dien-1-ol?
The IUPAC name of 4-aminocyclopenta-1,4-dien-1-ol (CID 163712824) is 4-aminocyclopenta-1,4-dien-1-ol.
What is the SMILES notation for 4-aminocyclopenta-1,4-dien-1-ol?
The canonical SMILES for 4-aminocyclopenta-1,4-dien-1-ol is NC1=CC(O)=CC1.
What is the InChIKey of 4-aminocyclopenta-1,4-dien-1-ol?
The InChIKey is KKTPWXFOHKTPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO/c6-4-1-2-5(7)3-4/h2-3,7H,1,6H2.
What are the key properties of 4-aminocyclopenta-1,4-dien-1-ol?
4-aminocyclopenta-1,4-dien-1-ol has a molecular weight of 97.12 g/mol, XLogP of 0.67, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminocyclopenta-1,4-dien-1-ol is sourced from PubChem (CID 163712824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).