4-(1-amino-1-cyclopropylethyl)benzene-1,2-diol

C11H15NO2 — CID 83830379

IUPAC4-(1-amino-1-cyclopropylethyl)benzene-1,2-diol
SMILESCC(N)(c1ccc(O)c(O)c1)C1CC1
InChIInChI=1S/C11H15NO2/c1-11(12,7-2-3-7)8-4-5-9(13)10(14)6-8/h4-7,13-14H,2-3,12H2,1H3
InChIKeyHLUNHDKIIRZUOL-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.68
Rot. Bonds2

About 4-(1-amino-1-cyclopropylethyl)benzene-1,2-diol

4-(1-amino-1-cyclopropylethyl)benzene-1,2-diol (PubChem CID 83830379) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-(1-amino-1-cyclopropylethyl)benzene-1,2-diol.

Molecular Properties

Compound Name4-(1-amino-1-cyclopropylethyl)benzene-1,2-diol
PubChem CID83830379
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name4-(1-amino-1-cyclopropylethyl)benzene-1,2-diol
SMILESCC(N)(c1ccc(O)c(O)c1)C1CC1
InChIInChI=1S/C11H15NO2/c1-11(12,7-2-3-7)8-4-5-9(13)10(14)6-8/h4-7,13-14H,2-3,12H2,1H3
InChIKeyHLUNHDKIIRZUOL-UHFFFAOYSA-N
XLogP1.68
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-1-cyclopropylethyl)benzene-1,2-diol?
The IUPAC name of 4-(1-amino-1-cyclopropylethyl)benzene-1,2-diol (CID 83830379) is 4-(1-amino-1-cyclopropylethyl)benzene-1,2-diol.
What is the SMILES notation for 4-(1-amino-1-cyclopropylethyl)benzene-1,2-diol?
The canonical SMILES for 4-(1-amino-1-cyclopropylethyl)benzene-1,2-diol is CC(N)(c1ccc(O)c(O)c1)C1CC1.
What is the InChIKey of 4-(1-amino-1-cyclopropylethyl)benzene-1,2-diol?
The InChIKey is HLUNHDKIIRZUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-11(12,7-2-3-7)8-4-5-9(13)10(14)6-8/h4-7,13-14H,2-3,12H2,1H3.
What are the key properties of 4-(1-amino-1-cyclopropylethyl)benzene-1,2-diol?
4-(1-amino-1-cyclopropylethyl)benzene-1,2-diol has a molecular weight of 193.25 g/mol, XLogP of 1.68, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-1-cyclopropylethyl)benzene-1,2-diol is sourced from PubChem (CID 83830379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).