2-[1-(prop-2-enylamino)ethyl]benzene-1,3-diol

C11H15NO2 — CID 107710273

IUPAC2-[1-(prop-2-enylamino)ethyl]benzene-1,3-diol
SMILESC=CCNC(C)c1c(O)cccc1O
InChIInChI=1S/C11H15NO2/c1-3-7-12-8(2)11-9(13)5-4-6-10(11)14/h3-6,8,12-14H,1,7H2,2H3
InChIKeyOPKZRRNPEGGFAG-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.93
Rot. Bonds4

About 2-[1-(prop-2-enylamino)ethyl]benzene-1,3-diol

2-[1-(prop-2-enylamino)ethyl]benzene-1,3-diol (PubChem CID 107710273) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-[1-(prop-2-enylamino)ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name2-[1-(prop-2-enylamino)ethyl]benzene-1,3-diol
PubChem CID107710273
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-[1-(prop-2-enylamino)ethyl]benzene-1,3-diol
SMILESC=CCNC(C)c1c(O)cccc1O
InChIInChI=1S/C11H15NO2/c1-3-7-12-8(2)11-9(13)5-4-6-10(11)14/h3-6,8,12-14H,1,7H2,2H3
InChIKeyOPKZRRNPEGGFAG-UHFFFAOYSA-N
XLogP1.93
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[1-(but-3-enylamino)ethyl]benzene-1,3-diol
CID 107711262
4-[1-(prop-2-enylamino)ethyl]phenol
CID 43189554
N-[1-(furan-2-yl)ethyl]prop-2-en-1-amine
CID 43177064
2-[1-(2,6-dihydroxyphenyl)ethylamino]-N-propan-2-ylacetamide
CID 107710571
2-[1-(2-ethylsulfinylethylamino)ethyl]benzene-1,3-diol
CID 107711285
N-[2-[1-(2,6-dihydroxyphenyl)ethylamino]ethyl]-2-methylpropanamide
CID 107710460
2-[1-[(5-hydroxy-4-methylpentyl)amino]ethyl]benzene-1,3-diol
CID 106158212
2-[1-[(2,2-dimethylcyclopropyl)methylamino]ethyl]benzene-1,3-diol
CID 114107662
N-[1-(5-methylfuran-2-yl)ethyl]prop-2-en-1-amine
CID 43177065
2-[1-(4-methylpentan-2-ylamino)ethyl]benzene-1,3-diol
CID 107710552
N,N-dimethyl-4-[1-(prop-2-enylamino)ethyl]aniline
CID 43755380
(2S)-1-phenyl-N-prop-2-enylpropan-2-amine
CID 101179457

Frequently Asked Questions

What is the IUPAC name of 2-[1-(prop-2-enylamino)ethyl]benzene-1,3-diol?
The IUPAC name of 2-[1-(prop-2-enylamino)ethyl]benzene-1,3-diol (CID 107710273) is 2-[1-(prop-2-enylamino)ethyl]benzene-1,3-diol.
What is the SMILES notation for 2-[1-(prop-2-enylamino)ethyl]benzene-1,3-diol?
The canonical SMILES for 2-[1-(prop-2-enylamino)ethyl]benzene-1,3-diol is C=CCNC(C)c1c(O)cccc1O.
What is the InChIKey of 2-[1-(prop-2-enylamino)ethyl]benzene-1,3-diol?
The InChIKey is OPKZRRNPEGGFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-7-12-8(2)11-9(13)5-4-6-10(11)14/h3-6,8,12-14H,1,7H2,2H3.
What are the key properties of 2-[1-(prop-2-enylamino)ethyl]benzene-1,3-diol?
2-[1-(prop-2-enylamino)ethyl]benzene-1,3-diol has a molecular weight of 193.25 g/mol, XLogP of 1.93, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(prop-2-enylamino)ethyl]benzene-1,3-diol is sourced from PubChem (CID 107710273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).