4-[2-(aminomethyl)buta-2,3-dienyl]benzene-1,3-diol

C11H13NO2 — CID 19894434

IUPAC4-[2-(aminomethyl)buta-2,3-dienyl]benzene-1,3-diol
SMILESC=C=C(CN)Cc1ccc(O)cc1O
InChIInChI=1S/C11H13NO2/c1-2-8(7-12)5-9-3-4-10(13)6-11(9)14/h3-4,6,13-14H,1,5,7,12H2
InChIKeyVNNLPIJQDDKPGX-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.31
Rot. Bonds3

About 4-[2-(aminomethyl)buta-2,3-dienyl]benzene-1,3-diol

4-[2-(aminomethyl)buta-2,3-dienyl]benzene-1,3-diol (PubChem CID 19894434) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 4-[2-(aminomethyl)buta-2,3-dienyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[2-(aminomethyl)buta-2,3-dienyl]benzene-1,3-diol
PubChem CID19894434
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name4-[2-(aminomethyl)buta-2,3-dienyl]benzene-1,3-diol
SMILESC=C=C(CN)Cc1ccc(O)cc1O
InChIInChI=1S/C11H13NO2/c1-2-8(7-12)5-9-3-4-10(13)6-11(9)14/h3-4,6,13-14H,1,5,7,12H2
InChIKeyVNNLPIJQDDKPGX-UHFFFAOYSA-N
XLogP1.31
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)buta-2,3-dienyl]benzene-1,3-diol?
The IUPAC name of 4-[2-(aminomethyl)buta-2,3-dienyl]benzene-1,3-diol (CID 19894434) is 4-[2-(aminomethyl)buta-2,3-dienyl]benzene-1,3-diol.
What is the SMILES notation for 4-[2-(aminomethyl)buta-2,3-dienyl]benzene-1,3-diol?
The canonical SMILES for 4-[2-(aminomethyl)buta-2,3-dienyl]benzene-1,3-diol is C=C=C(CN)Cc1ccc(O)cc1O.
What is the InChIKey of 4-[2-(aminomethyl)buta-2,3-dienyl]benzene-1,3-diol?
The InChIKey is VNNLPIJQDDKPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-2-8(7-12)5-9-3-4-10(13)6-11(9)14/h3-4,6,13-14H,1,5,7,12H2.
What are the key properties of 4-[2-(aminomethyl)buta-2,3-dienyl]benzene-1,3-diol?
4-[2-(aminomethyl)buta-2,3-dienyl]benzene-1,3-diol has a molecular weight of 191.23 g/mol, XLogP of 1.31, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)buta-2,3-dienyl]benzene-1,3-diol is sourced from PubChem (CID 19894434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).