6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-ylazanium

C10H12NO2+ — CID 51419396

IUPAC6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-ylazanium
SMILES[NH3+]C1Cc2cc3c(cc2C1)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/p+1
InChIKeyFQDRMHHCWZAXJM-UHFFFAOYSA-O
MW178.21 g/mol
LogP0.12
Rot. Bonds

About 6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-ylazanium

6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-ylazanium (PubChem CID 51419396) has the molecular formula C10H12NO2+ and a molecular weight of 178.21 g/mol. Its IUPAC name is 6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-ylazanium.

Molecular Properties

Compound Name6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-ylazanium
PubChem CID51419396
Molecular FormulaC10H12NO2+
Molecular Weight178.21 g/mol
Exact Mass178.09
IUPAC Name6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-ylazanium
SMILES[NH3+]C1Cc2cc3c(cc2C1)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/p+1
InChIKeyFQDRMHHCWZAXJM-UHFFFAOYSA-O
XLogP0.12
TPSA46.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-chloro-9,11-dioxatricyclo[6.3.0.03,6]undeca-1(8),2,6-triene
CID 7055858
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
(5aR,8aR)-5a,8,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-6-one
CID 71220428
5,5,6,7,7-pentadeuteriocyclopenta[f][1,3]benzodioxol-6-amine
CID 168797077
6-amino-5,8-dihydro-[1,3]dioxolo[4,5-g]isoquinolin-7-one
CID 121215736
6-bromo-5,6-dihydrocyclopenta[f][1,3]benzodioxol-7-one
CID 10944996
5,5,6,7,7-pentadeuteriocyclopenta[f][1,3]benzodioxol-6-amine;hydrochloride
CID 168797076
(6R)-6-methyl-6,7-dihydro-5H-benzo[f][1,3]benzodioxol-8-one
CID 134967336
5-iodo-6,7-dihydro-[1,3]dioxolo[4,5-f]indole
CID 142057462
(6R,8S)-8-methyl-7-oxo-5,6,8,9-tetrahydrothiepino[4,5-f][1,3]benzodioxole-6-carboxylic acid
CID 154163930
5,6,7,8-tetrahydrobenzo[f][1,3]benzodioxol-6-ylmethyl formate
CID 142141201
1,3-benzodioxole-5,6-diamine;dihydrate
CID 175096617

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-ylazanium?
The IUPAC name of 6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-ylazanium (CID 51419396) is 6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-ylazanium.
What is the SMILES notation for 6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-ylazanium?
The canonical SMILES for 6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-ylazanium is [NH3+]C1Cc2cc3c(cc2C1)OCO3.
What is the InChIKey of 6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-ylazanium?
The InChIKey is FQDRMHHCWZAXJM-UHFFFAOYSA-O. 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/p+1.
What are the key properties of 6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-ylazanium?
6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-ylazanium has a molecular weight of 178.21 g/mol, XLogP of 0.12, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-cyclopenta[f][1,3]benzodioxol-6-ylazanium is sourced from PubChem (CID 51419396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).