2-methyl-5-prop-2-enyl-1,3-benzodioxol-2-amine

C11H13NO2 — CID 175884382

IUPAC2-methyl-5-prop-2-enyl-1,3-benzodioxol-2-amine
SMILESC=CCc1ccc2c(c1)OC(C)(N)O2
InChIInChI=1S/C11H13NO2/c1-3-4-8-5-6-9-10(7-8)14-11(2,12)13-9/h3,5-7H,1,4,12H2,2H3
InChIKeyMTIZNBRTCSVLEZ-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.82
Rot. Bonds2

About 2-methyl-5-prop-2-enyl-1,3-benzodioxol-2-amine

2-methyl-5-prop-2-enyl-1,3-benzodioxol-2-amine (PubChem CID 175884382) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-methyl-5-prop-2-enyl-1,3-benzodioxol-2-amine.

Molecular Properties

Compound Name2-methyl-5-prop-2-enyl-1,3-benzodioxol-2-amine
PubChem CID175884382
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name2-methyl-5-prop-2-enyl-1,3-benzodioxol-2-amine
SMILESC=CCc1ccc2c(c1)OC(C)(N)O2
InChIInChI=1S/C11H13NO2/c1-3-4-8-5-6-9-10(7-8)14-11(2,12)13-9/h3,5-7H,1,4,12H2,2H3
InChIKeyMTIZNBRTCSVLEZ-UHFFFAOYSA-N
XLogP1.82
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-prop-2-enyl-1,3-benzodioxol-2-amine?
The IUPAC name of 2-methyl-5-prop-2-enyl-1,3-benzodioxol-2-amine (CID 175884382) is 2-methyl-5-prop-2-enyl-1,3-benzodioxol-2-amine.
What is the SMILES notation for 2-methyl-5-prop-2-enyl-1,3-benzodioxol-2-amine?
The canonical SMILES for 2-methyl-5-prop-2-enyl-1,3-benzodioxol-2-amine is C=CCc1ccc2c(c1)OC(C)(N)O2.
What is the InChIKey of 2-methyl-5-prop-2-enyl-1,3-benzodioxol-2-amine?
The InChIKey is MTIZNBRTCSVLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-3-4-8-5-6-9-10(7-8)14-11(2,12)13-9/h3,5-7H,1,4,12H2,2H3.
What are the key properties of 2-methyl-5-prop-2-enyl-1,3-benzodioxol-2-amine?
2-methyl-5-prop-2-enyl-1,3-benzodioxol-2-amine has a molecular weight of 191.23 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-prop-2-enyl-1,3-benzodioxol-2-amine is sourced from PubChem (CID 175884382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).