4-aminocyclohexa-2,4-dien-1-ol

C6H9NO — CID 70218402

IUPAC4-aminocyclohexa-2,4-dien-1-ol
SMILESNC1=CCC(O)C=C1
InChIInChI=1S/C6H9NO/c7-5-1-3-6(8)4-2-5/h1-3,6,8H,4,7H2
InChIKeyMHQAANOFHCCCHP-UHFFFAOYSA-N
MW111.14 g/mol
LogP0.15
Rot. Bonds

About 4-aminocyclohexa-2,4-dien-1-ol

4-aminocyclohexa-2,4-dien-1-ol (PubChem CID 70218402) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 4-aminocyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name4-aminocyclohexa-2,4-dien-1-ol
PubChem CID70218402
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name4-aminocyclohexa-2,4-dien-1-ol
SMILESNC1=CCC(O)C=C1
InChIInChI=1S/C6H9NO/c7-5-1-3-6(8)4-2-5/h1-3,6,8H,4,7H2
InChIKeyMHQAANOFHCCCHP-UHFFFAOYSA-N
XLogP0.15
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-aminocyclohexa-2,4-dien-1-ol?
The IUPAC name of 4-aminocyclohexa-2,4-dien-1-ol (CID 70218402) is 4-aminocyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 4-aminocyclohexa-2,4-dien-1-ol?
The canonical SMILES for 4-aminocyclohexa-2,4-dien-1-ol is NC1=CCC(O)C=C1.
What is the InChIKey of 4-aminocyclohexa-2,4-dien-1-ol?
The InChIKey is MHQAANOFHCCCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c7-5-1-3-6(8)4-2-5/h1-3,6,8H,4,7H2.
What are the key properties of 4-aminocyclohexa-2,4-dien-1-ol?
4-aminocyclohexa-2,4-dien-1-ol has a molecular weight of 111.14 g/mol, XLogP of 0.15, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminocyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 70218402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).