4,5-dihydro-1,3-benzodioxol-5-amine

C7H9NO2 — CID 142998382

IUPAC4,5-dihydro-1,3-benzodioxol-5-amine
SMILESNC1C=CC2=C(C1)OCO2
InChIInChI=1S/C7H9NO2/c8-5-1-2-6-7(3-5)10-4-9-6/h1-2,5H,3-4,8H2
InChIKeyLGECTWDJEJZEGP-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.49
Rot. Bonds

About 4,5-dihydro-1,3-benzodioxol-5-amine

4,5-dihydro-1,3-benzodioxol-5-amine (PubChem CID 142998382) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 4,5-dihydro-1,3-benzodioxol-5-amine.

Molecular Properties

Compound Name4,5-dihydro-1,3-benzodioxol-5-amine
PubChem CID142998382
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name4,5-dihydro-1,3-benzodioxol-5-amine
SMILESNC1C=CC2=C(C1)OCO2
InChIInChI=1S/C7H9NO2/c8-5-1-2-6-7(3-5)10-4-9-6/h1-2,5H,3-4,8H2
InChIKeyLGECTWDJEJZEGP-UHFFFAOYSA-N
XLogP0.49
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1,3-benzodioxol-5-amine?
The IUPAC name of 4,5-dihydro-1,3-benzodioxol-5-amine (CID 142998382) is 4,5-dihydro-1,3-benzodioxol-5-amine.
What is the SMILES notation for 4,5-dihydro-1,3-benzodioxol-5-amine?
The canonical SMILES for 4,5-dihydro-1,3-benzodioxol-5-amine is NC1C=CC2=C(C1)OCO2.
What is the InChIKey of 4,5-dihydro-1,3-benzodioxol-5-amine?
The InChIKey is LGECTWDJEJZEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c8-5-1-2-6-7(3-5)10-4-9-6/h1-2,5H,3-4,8H2.
What are the key properties of 4,5-dihydro-1,3-benzodioxol-5-amine?
4,5-dihydro-1,3-benzodioxol-5-amine has a molecular weight of 139.15 g/mol, XLogP of 0.49, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1,3-benzodioxol-5-amine is sourced from PubChem (CID 142998382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).