6,7-dihydrocyclobuta[g][1,3]benzodioxol-7-ylmethanamine

C10H11NO2 — CID 163412207

IUPAC6,7-dihydrocyclobuta[g][1,3]benzodioxol-7-ylmethanamine
SMILESNCC1Cc2ccc3c(c21)OCO3
InChIInChI=1S/C10H11NO2/c11-4-7-3-6-1-2-8-10(9(6)7)13-5-12-8/h1-2,7H,3-5,11H2
InChIKeyABLGWJURPGKVOP-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.01
Rot. Bonds1

About 6,7-dihydrocyclobuta[g][1,3]benzodioxol-7-ylmethanamine

6,7-dihydrocyclobuta[g][1,3]benzodioxol-7-ylmethanamine (PubChem CID 163412207) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 6,7-dihydrocyclobuta[g][1,3]benzodioxol-7-ylmethanamine.

Molecular Properties

Compound Name6,7-dihydrocyclobuta[g][1,3]benzodioxol-7-ylmethanamine
PubChem CID163412207
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name6,7-dihydrocyclobuta[g][1,3]benzodioxol-7-ylmethanamine
SMILESNCC1Cc2ccc3c(c21)OCO3
InChIInChI=1S/C10H11NO2/c11-4-7-3-6-1-2-8-10(9(6)7)13-5-12-8/h1-2,7H,3-5,11H2
InChIKeyABLGWJURPGKVOP-UHFFFAOYSA-N
XLogP1.01
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6,7-dihydrocyclobuta[g][1,3]benzodioxol-7-ylmethanamine with MolForge

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Related Compounds

(7S)-7-methyl-6,7,8,9-tetrahydrobenzo[g][1,3]benzodioxole
CID 143917287
7-methyl-6,7-dihydrofuro[3,2-g][1,3]benzodioxole
CID 86150963
[5-(5-chloro-1,3-benzodioxol-4-yl)-1-methylpyrrolidin-3-yl]methanamine
CID 117425247
8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isochromen-6-ylmethanamine
CID 134208029
N,N-dipropyl-7,8-dihydro-6H-cyclopenta[g][1,3]benzodioxol-7-amine
CID 139712498
(9R)-9-[(2R)-butan-2-yl]-7,9-dihydro-6H-[1,3]dioxolo[4,5-h]isochromene
CID 159377227
(6aR,10aS)-7-propyl-6a,8,9,10,10a,11-hexahydro-6H-[1,3]benzodioxolo[7,6-g]quinolin-11-ol
CID 155327377
5-bromo-4-(1,3-dioxolan-2-yl)-1,3-benzodioxole
CID 118640946
(10R)-6-ethyl-14,16-dioxatetracyclo[10.7.0.03,10.013,17]nonadeca-1(12),13(17),18-triene
CID 143769002
(5-bromo-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl)methanamine
CID 105465700
5-[(E)-3-aminoprop-1-enyl]-1,3-benzodioxol-4-ol
CID 117283406
(4-methoxy-1,3-benzodioxol-5-yl)methanamine
CID 21294011

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydrocyclobuta[g][1,3]benzodioxol-7-ylmethanamine?
The IUPAC name of 6,7-dihydrocyclobuta[g][1,3]benzodioxol-7-ylmethanamine (CID 163412207) is 6,7-dihydrocyclobuta[g][1,3]benzodioxol-7-ylmethanamine.
What is the SMILES notation for 6,7-dihydrocyclobuta[g][1,3]benzodioxol-7-ylmethanamine?
The canonical SMILES for 6,7-dihydrocyclobuta[g][1,3]benzodioxol-7-ylmethanamine is NCC1Cc2ccc3c(c21)OCO3.
What is the InChIKey of 6,7-dihydrocyclobuta[g][1,3]benzodioxol-7-ylmethanamine?
The InChIKey is ABLGWJURPGKVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c11-4-7-3-6-1-2-8-10(9(6)7)13-5-12-8/h1-2,7H,3-5,11H2.
What are the key properties of 6,7-dihydrocyclobuta[g][1,3]benzodioxol-7-ylmethanamine?
6,7-dihydrocyclobuta[g][1,3]benzodioxol-7-ylmethanamine has a molecular weight of 177.20 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydrocyclobuta[g][1,3]benzodioxol-7-ylmethanamine is sourced from PubChem (CID 163412207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).