5,5,6,7,7-pentadeuteriocyclopenta[f][1,3]benzodioxol-6-amine

C10H11NO2 — CID 168797077

IUPAC5,5,6,7,7-pentadeuteriocyclopenta[f][1,3]benzodioxol-6-amine
SMILES[2H]C1([2H])c2cc3c(cc2C([2H])([2H])C1([2H])N)OCO3
InChIInChI=1S/C10H11NO2/c11-8-1-6-3-9-10(13-5-12-9)4-7(6)2-8/h3-4,8H,1-2,5,11H2/i1D2,2D2,8D
InChIKeyFQDRMHHCWZAXJM-YAJIPLGWSA-N
MW182.23 g/mol
LogP0.84
Rot. Bonds

About 5,5,6,7,7-pentadeuteriocyclopenta[f][1,3]benzodioxol-6-amine

5,5,6,7,7-pentadeuteriocyclopenta[f][1,3]benzodioxol-6-amine (PubChem CID 168797077) has the molecular formula C10H11NO2 and a molecular weight of 182.23 g/mol. Its IUPAC name is 5,5,6,7,7-pentadeuteriocyclopenta[f][1,3]benzodioxol-6-amine.

Molecular Properties

Compound Name5,5,6,7,7-pentadeuteriocyclopenta[f][1,3]benzodioxol-6-amine
PubChem CID168797077
Molecular FormulaC10H11NO2
Molecular Weight182.23 g/mol
Exact Mass182.11
IUPAC Name5,5,6,7,7-pentadeuteriocyclopenta[f][1,3]benzodioxol-6-amine
SMILES[2H]C1([2H])c2cc3c(cc2C([2H])([2H])C1([2H])N)OCO3
InChIInChI=1S/C10H11NO2/c11-8-1-6-3-9-10(13-5-12-9)4-7(6)2-8/h3-4,8H,1-2,5,11H2/i1D2,2D2,8D
InChIKeyFQDRMHHCWZAXJM-YAJIPLGWSA-N
XLogP0.84
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5,5,6,7,7-pentadeuteriocyclopenta[f][1,3]benzodioxol-6-amine 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

5,5,6,7,7-pentadeuteriocyclopenta[f][1,3]benzodioxol-6-amine;hydrochloride
CID 168797076
6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-ylazanium
CID 51419396
1,3-benzodioxole-5,6-diamine;dihydrate
CID 175096617
(4R)-4-chloro-9,11-dioxatricyclo[6.3.0.03,6]undeca-1(8),2,6-triene
CID 7055858
6-amino-5,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-7-one
CID 121215736
5,7,16,18-tetraoxa-23-azahexacyclo[10.10.1.02,10.04,8.013,21.015,19]tricosa-2,4(8),9,13,15(19),20-hexaene
CID 19034001
7,8-dihydro-6H-[1,3]dioxolo[4,5-g]chromen-8-amine
CID 43155060
7,8-dihydro-[1,3]dioxolo[4,5-g]isoquinoline;hydrochloride
CID 12557876
2,3,4,6,7,12b-hexahydro-1H-[1,3]benzodioxolo[6,5-a]quinolizin-2-amine
CID 20559728
5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium
CID 3618065
6-bromo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-7-one
CID 10944996
5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-6-ium chloride
CID 27012

Frequently Asked Questions

What is the IUPAC name of 5,5,6,7,7-pentadeuteriocyclopenta[f][1,3]benzodioxol-6-amine?
The IUPAC name of 5,5,6,7,7-pentadeuteriocyclopenta[f][1,3]benzodioxol-6-amine (CID 168797077) is 5,5,6,7,7-pentadeuteriocyclopenta[f][1,3]benzodioxol-6-amine.
What is the SMILES notation for 5,5,6,7,7-pentadeuteriocyclopenta[f][1,3]benzodioxol-6-amine?
The canonical SMILES for 5,5,6,7,7-pentadeuteriocyclopenta[f][1,3]benzodioxol-6-amine is [2H]C1([2H])c2cc3c(cc2C([2H])([2H])C1([2H])N)OCO3.
What is the InChIKey of 5,5,6,7,7-pentadeuteriocyclopenta[f][1,3]benzodioxol-6-amine?
The InChIKey is FQDRMHHCWZAXJM-YAJIPLGWSA-N. The full InChI is InChI=1S/C10H11NO2/c11-8-1-6-3-9-10(13-5-12-9)4-7(6)2-8/h3-4,8H,1-2,5,11H2/i1D2,2D2,8D.
What are the key properties of 5,5,6,7,7-pentadeuteriocyclopenta[f][1,3]benzodioxol-6-amine?
5,5,6,7,7-pentadeuteriocyclopenta[f][1,3]benzodioxol-6-amine has a molecular weight of 182.23 g/mol, XLogP of 0.84, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6,7,7-pentadeuteriocyclopenta[f][1,3]benzodioxol-6-amine is sourced from PubChem (CID 168797077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).