[cyclohexa-2,4-dien-1-yl(hydroxy)methyl]azanide

C7H10NO- — CID 163563649

IUPAC[cyclohexa-2,4-dien-1-yl(hydroxy)methyl]azanide
SMILES[NH-]C(O)C1C=CC=CC1
InChIInChI=1S/C7H10NO/c8-7(9)6-4-2-1-3-5-6/h1-4,6-9H,5H2/q-1
InChIKeyFTJOJAJIUYAOAU-UHFFFAOYSA-N
MW124.16 g/mol
LogP1.49
Rot. Bonds1

About [cyclohexa-2,4-dien-1-yl(hydroxy)methyl]azanide

[cyclohexa-2,4-dien-1-yl(hydroxy)methyl]azanide (PubChem CID 163563649) has the molecular formula C7H10NO- and a molecular weight of 124.16 g/mol. Its IUPAC name is [cyclohexa-2,4-dien-1-yl(hydroxy)methyl]azanide.

Molecular Properties

Compound Name[cyclohexa-2,4-dien-1-yl(hydroxy)methyl]azanide
PubChem CID163563649
Molecular FormulaC7H10NO-
Molecular Weight124.16 g/mol
Exact Mass124.08
IUPAC Name[cyclohexa-2,4-dien-1-yl(hydroxy)methyl]azanide
SMILES[NH-]C(O)C1C=CC=CC1
InChIInChI=1S/C7H10NO/c8-7(9)6-4-2-1-3-5-6/h1-4,6-9H,5H2/q-1
InChIKeyFTJOJAJIUYAOAU-UHFFFAOYSA-N
XLogP1.49
TPSA44.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.16
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [cyclohexa-2,4-dien-1-yl(hydroxy)methyl]azanide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [cyclohexa-2,4-dien-1-yl(hydroxy)methyl]azanide?
The IUPAC name of [cyclohexa-2,4-dien-1-yl(hydroxy)methyl]azanide (CID 163563649) is [cyclohexa-2,4-dien-1-yl(hydroxy)methyl]azanide.
What is the SMILES notation for [cyclohexa-2,4-dien-1-yl(hydroxy)methyl]azanide?
The canonical SMILES for [cyclohexa-2,4-dien-1-yl(hydroxy)methyl]azanide is [NH-]C(O)C1C=CC=CC1.
What is the InChIKey of [cyclohexa-2,4-dien-1-yl(hydroxy)methyl]azanide?
The InChIKey is FTJOJAJIUYAOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10NO/c8-7(9)6-4-2-1-3-5-6/h1-4,6-9H,5H2/q-1.
What are the key properties of [cyclohexa-2,4-dien-1-yl(hydroxy)methyl]azanide?
[cyclohexa-2,4-dien-1-yl(hydroxy)methyl]azanide has a molecular weight of 124.16 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclohexa-2,4-dien-1-yl(hydroxy)methyl]azanide is sourced from PubChem (CID 163563649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).