[(2S)-6-hydrazinyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanol

C9H12N2O3 — CID 89334694

IUPAC[(2S)-6-hydrazinyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanol
SMILESNNc1ccc2c(c1)OC[C@H](CO)O2
InChIInChI=1S/C9H12N2O3/c10-11-6-1-2-8-9(3-6)13-5-7(4-12)14-8/h1-3,7,11-12H,4-5,10H2/t7-/m0/s1
InChIKeyOJYKRRYLIPTSAY-ZETCQYMHSA-N
MW196.21 g/mol
LogP0.10
Rot. Bonds2

About [(2S)-6-hydrazinyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanol

[(2S)-6-hydrazinyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanol (PubChem CID 89334694) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is [(2S)-6-hydrazinyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-6-hydrazinyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanol
PubChem CID89334694
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name[(2S)-6-hydrazinyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanol
SMILESNNc1ccc2c(c1)OC[C@H](CO)O2
InChIInChI=1S/C9H12N2O3/c10-11-6-1-2-8-9(3-6)13-5-7(4-12)14-8/h1-3,7,11-12H,4-5,10H2/t7-/m0/s1
InChIKeyOJYKRRYLIPTSAY-ZETCQYMHSA-N
XLogP0.10
TPSA76.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(2S)-6-hydrazinyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanol 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

[(3S)-6-amino-2,3-dihydro-1,4-benzodioxin-3-yl]methanol
CID 131182312
3-(hydroxymethyl)-2,3-dihydropyrano[3,2-g][1,4]benzodioxin-7-one
CID 22664924
6,7-dihydro-[1,4]dioxino[2,3-c]pyridazin-7-ylmethanol
CID 90994212
bis[2-(aminomethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone;hydrobromide
CID 67035730
2,3-dihydrobenzo[h][1,4]benzodioxin-2-ylmethanol
CID 13157038
[(2R)-2,3-dihydrobenzo[h][1,4]benzodioxin-2-yl]methanol
CID 102377836
[(3S)-3-(aminomethyl)-6-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]methanol
CID 67855456
(2S)-6-chloro-2-[(sulfinamoylamino)methyl]-2,3-dihydro-1,4-benzodioxine
CID 71176548
ethyl (2S)-3-[(2S)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-2-(phenylmethoxycarbonylamino)propanoate
CID 57010821
(5-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl)methanol
CID 21221000
6-bromo-2-ethyl-2,3-dihydro-1,4-benzodioxine
CID 123581940
1-(1,3-benzodioxol-5-yl)-3-[1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]pyrazol-4-yl]urea
CID 99876004

Frequently Asked Questions

What is the IUPAC name of [(2S)-6-hydrazinyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanol?
The IUPAC name of [(2S)-6-hydrazinyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanol (CID 89334694) is [(2S)-6-hydrazinyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanol.
What is the SMILES notation for [(2S)-6-hydrazinyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanol?
The canonical SMILES for [(2S)-6-hydrazinyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanol is NNc1ccc2c(c1)OC[C@H](CO)O2.
What is the InChIKey of [(2S)-6-hydrazinyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanol?
The InChIKey is OJYKRRYLIPTSAY-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H12N2O3/c10-11-6-1-2-8-9(3-6)13-5-7(4-12)14-8/h1-3,7,11-12H,4-5,10H2/t7-/m0/s1.
What are the key properties of [(2S)-6-hydrazinyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanol?
[(2S)-6-hydrazinyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanol has a molecular weight of 196.21 g/mol, XLogP of 0.10, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-6-hydrazinyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanol is sourced from PubChem (CID 89334694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).