6-[1-(aminomethyl)cyclopropyl]-1,3-benzodioxol-5-ol

C11H13NO3 — CID 117295658

IUPAC6-[1-(aminomethyl)cyclopropyl]-1,3-benzodioxol-5-ol
SMILESNCC1(c2cc3c(cc2O)OCO3)CC1
InChIInChI=1S/C11H13NO3/c12-5-11(1-2-11)7-3-9-10(4-8(7)13)15-6-14-9/h3-4,13H,1-2,5-6,12H2
InChIKeyBRWLJIXGMJXGQI-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.11
Rot. Bonds2

About 6-[1-(aminomethyl)cyclopropyl]-1,3-benzodioxol-5-ol

6-[1-(aminomethyl)cyclopropyl]-1,3-benzodioxol-5-ol (PubChem CID 117295658) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 6-[1-(aminomethyl)cyclopropyl]-1,3-benzodioxol-5-ol.

Molecular Properties

Compound Name6-[1-(aminomethyl)cyclopropyl]-1,3-benzodioxol-5-ol
PubChem CID117295658
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name6-[1-(aminomethyl)cyclopropyl]-1,3-benzodioxol-5-ol
SMILESNCC1(c2cc3c(cc2O)OCO3)CC1
InChIInChI=1S/C11H13NO3/c12-5-11(1-2-11)7-3-9-10(4-8(7)13)15-6-14-9/h3-4,13H,1-2,5-6,12H2
InChIKeyBRWLJIXGMJXGQI-UHFFFAOYSA-N
XLogP1.11
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-[1-(aminomethyl)cyclobutyl]-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117342304
[1-(6-chloro-1,3-benzodioxol-5-yl)cyclobutyl]methanamine
CID 117351900
6-[1-(aminomethyl)cyclopentyl]-1,3-dihydro-2-benzofuran-5-ol
CID 117338492
6-[1-(aminomethyl)cyclohexyl]-4-fluoro-1,3-benzodioxol-5-ol
CID 117421572
[1-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]methanamine
CID 82493830
[1-(5-methyl-[1,3]dioxolo[4,5-f]indol-7-yl)cyclopropyl]methanamine
CID 82497562
2-[1-(aminomethyl)cyclopentyl]-4,5-difluorophenol
CID 84791404
1-(6-hydroxy-1,3-benzodioxol-5-yl)cyclohexane-1-carboxylic acid
CID 117414750
2-[1-(aminomethyl)cyclopentyl]-5-methylbenzene-1,4-diol
CID 117316086
2-[1-(aminomethyl)cyclopropyl]-4-bromo-5-methoxyphenol
CID 117432605
6-[(1-hydroxycyclopropyl)methyl]-1,3-benzodioxol-5-ol
CID 117297255
[1-(7-chloro-6-methyl-1,3-benzodioxol-5-yl)cyclobutyl]methanamine
CID 117387232

Frequently Asked Questions

What is the IUPAC name of 6-[1-(aminomethyl)cyclopropyl]-1,3-benzodioxol-5-ol?
The IUPAC name of 6-[1-(aminomethyl)cyclopropyl]-1,3-benzodioxol-5-ol (CID 117295658) is 6-[1-(aminomethyl)cyclopropyl]-1,3-benzodioxol-5-ol.
What is the SMILES notation for 6-[1-(aminomethyl)cyclopropyl]-1,3-benzodioxol-5-ol?
The canonical SMILES for 6-[1-(aminomethyl)cyclopropyl]-1,3-benzodioxol-5-ol is NCC1(c2cc3c(cc2O)OCO3)CC1.
What is the InChIKey of 6-[1-(aminomethyl)cyclopropyl]-1,3-benzodioxol-5-ol?
The InChIKey is BRWLJIXGMJXGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c12-5-11(1-2-11)7-3-9-10(4-8(7)13)15-6-14-9/h3-4,13H,1-2,5-6,12H2.
What are the key properties of 6-[1-(aminomethyl)cyclopropyl]-1,3-benzodioxol-5-ol?
6-[1-(aminomethyl)cyclopropyl]-1,3-benzodioxol-5-ol has a molecular weight of 207.23 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(aminomethyl)cyclopropyl]-1,3-benzodioxol-5-ol is sourced from PubChem (CID 117295658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).