[2-(1,3-benzodioxol-5-yl)cyclopropyl]methanamine

C11H13NO2 — CID 62709080

IUPAC[2-(1,3-benzodioxol-5-yl)cyclopropyl]methanamine
SMILESNCC1CC1c1ccc2c(c1)OCO2
InChIInChI=1S/C11H13NO2/c12-5-8-3-9(8)7-1-2-10-11(4-7)14-6-13-10/h1-2,4,8-9H,3,5-6,12H2
InChIKeySKSUAQBFGXZJJH-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.48
Rot. Bonds2

About [2-(1,3-benzodioxol-5-yl)cyclopropyl]methanamine

[2-(1,3-benzodioxol-5-yl)cyclopropyl]methanamine (PubChem CID 62709080) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is [2-(1,3-benzodioxol-5-yl)cyclopropyl]methanamine.

Molecular Properties

Compound Name[2-(1,3-benzodioxol-5-yl)cyclopropyl]methanamine
PubChem CID62709080
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name[2-(1,3-benzodioxol-5-yl)cyclopropyl]methanamine
SMILESNCC1CC1c1ccc2c(c1)OCO2
InChIInChI=1S/C11H13NO2/c12-5-8-3-9(8)7-1-2-10-11(4-7)14-6-13-10/h1-2,4,8-9H,3,5-6,12H2
InChIKeySKSUAQBFGXZJJH-UHFFFAOYSA-N
XLogP1.48
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 ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(1,3-benzodioxol-5-yl)cyclopropyl]methanamine?
The IUPAC name of [2-(1,3-benzodioxol-5-yl)cyclopropyl]methanamine (CID 62709080) is [2-(1,3-benzodioxol-5-yl)cyclopropyl]methanamine.
What is the SMILES notation for [2-(1,3-benzodioxol-5-yl)cyclopropyl]methanamine?
The canonical SMILES for [2-(1,3-benzodioxol-5-yl)cyclopropyl]methanamine is NCC1CC1c1ccc2c(c1)OCO2.
What is the InChIKey of [2-(1,3-benzodioxol-5-yl)cyclopropyl]methanamine?
The InChIKey is SKSUAQBFGXZJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c12-5-8-3-9(8)7-1-2-10-11(4-7)14-6-13-10/h1-2,4,8-9H,3,5-6,12H2.
What are the key properties of [2-(1,3-benzodioxol-5-yl)cyclopropyl]methanamine?
[2-(1,3-benzodioxol-5-yl)cyclopropyl]methanamine has a molecular weight of 191.23 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-benzodioxol-5-yl)cyclopropyl]methanamine is sourced from PubChem (CID 62709080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).