4-(aminomethylidene)cyclohexa-1,5-dien-1-ol

C7H9NO — CID 163548670

IUPAC4-(aminomethylidene)cyclohexa-1,5-dien-1-ol
SMILESNC=C1C=CC(O)=CC1
InChIInChI=1S/C7H9NO/c8-5-6-1-3-7(9)4-2-6/h1,3-5,9H,2,8H2
InChIKeyFHERBTVCSVARJX-UHFFFAOYSA-N
MW123.15 g/mol
LogP1.23
Rot. Bonds

About 4-(aminomethylidene)cyclohexa-1,5-dien-1-ol

4-(aminomethylidene)cyclohexa-1,5-dien-1-ol (PubChem CID 163548670) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is 4-(aminomethylidene)cyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name4-(aminomethylidene)cyclohexa-1,5-dien-1-ol
PubChem CID163548670
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name4-(aminomethylidene)cyclohexa-1,5-dien-1-ol
SMILESNC=C1C=CC(O)=CC1
InChIInChI=1S/C7H9NO/c8-5-6-1-3-7(9)4-2-6/h1,3-5,9H,2,8H2
InChIKeyFHERBTVCSVARJX-UHFFFAOYSA-N
XLogP1.23
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(aminomethylidene)cyclohexa-1,5-dien-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-Hydroxycyclohepta[1,2-c]pyridine
CID 21276159
6-(Aminomethylidene)cyclohexa-1,3-dien-1-ol
CID 67159571
6-(Aminomethylidene)cyclohexa-2,4-dien-1-ol
CID 67159572
(3Z,5Z)-6-amino-5-methylhexa-1,3,5-trien-2-ol
CID 87152872
2H-2-benzazepin-4-ol
CID 87766208
(1E,3Z)-1-amino-5-methylhexa-1,3,5-trien-2-ol
CID 88274704
(1E,3E)-1-amino-5-methylhexa-1,3,5-triene-2,3-diol
CID 88586817
(2Z,4Z,6E)-6-(aminomethyl)octa-2,4,6-trien-3-ol
CID 88860175
(1Z,3Z)-1-aminohepta-1,3-dien-2-ol
CID 88905575
6-(Aminomethyl)cyclohexa-1,5-dien-1-ol
CID 89044123
3-(Aminomethyl)cyclohepta-1,3,6-trien-1-ol
CID 89381340
4-(Aminomethyl)cyclohexa-1,5-dien-1-ol
CID 135251477

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethylidene)cyclohexa-1,5-dien-1-ol?
The IUPAC name of 4-(aminomethylidene)cyclohexa-1,5-dien-1-ol (CID 163548670) is 4-(aminomethylidene)cyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 4-(aminomethylidene)cyclohexa-1,5-dien-1-ol?
The canonical SMILES for 4-(aminomethylidene)cyclohexa-1,5-dien-1-ol is NC=C1C=CC(O)=CC1.
What is the InChIKey of 4-(aminomethylidene)cyclohexa-1,5-dien-1-ol?
The InChIKey is FHERBTVCSVARJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO/c8-5-6-1-3-7(9)4-2-6/h1,3-5,9H,2,8H2.
What are the key properties of 4-(aminomethylidene)cyclohexa-1,5-dien-1-ol?
4-(aminomethylidene)cyclohexa-1,5-dien-1-ol has a molecular weight of 123.15 g/mol, XLogP of 1.23, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethylidene)cyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 163548670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).