3-[2-[(2-hydroxy-1-prop-2-enoxyethenyl)amino]ethyl]-1H-indol-5-ol

C15H18N2O3 — CID 170711150

IUPAC3-[2-[(2-hydroxy-1-prop-2-enoxyethenyl)amino]ethyl]-1H-indol-5-ol
SMILESC=CCOC(=CO)NCCc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C15H18N2O3/c1-2-7-20-15(10-18)16-6-5-11-9-17-14-4-3-12(19)8-13(11)14/h2-4,8-10,16-19H,1,5-7H2
InChIKeyRMXAHCJKIYTXAY-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.57
Rot. Bonds7

About 3-[2-[(2-hydroxy-1-prop-2-enoxyethenyl)amino]ethyl]-1H-indol-5-ol

3-[2-[(2-hydroxy-1-prop-2-enoxyethenyl)amino]ethyl]-1H-indol-5-ol (PubChem CID 170711150) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 3-[2-[(2-hydroxy-1-prop-2-enoxyethenyl)amino]ethyl]-1H-indol-5-ol.

Molecular Properties

Compound Name3-[2-[(2-hydroxy-1-prop-2-enoxyethenyl)amino]ethyl]-1H-indol-5-ol
PubChem CID170711150
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name3-[2-[(2-hydroxy-1-prop-2-enoxyethenyl)amino]ethyl]-1H-indol-5-ol
SMILESC=CCOC(=CO)NCCc1c[nH]c2ccc(O)cc12
InChIInChI=1S/C15H18N2O3/c1-2-7-20-15(10-18)16-6-5-11-9-17-14-4-3-12(19)8-13(11)14/h2-4,8-10,16-19H,1,5-7H2
InChIKeyRMXAHCJKIYTXAY-UHFFFAOYSA-N
XLogP2.57
TPSA77.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-prop-2-enyl-1H-indol-5-ol
CID 24746176
2-amino-N-[2-[[2-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]-2-oxoethyl]amino]-2-oxoethyl]acetamide
CID 3344323
(4-methoxyphenyl) N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate
CID 24749698
3-propyl-1H-indol-5-ol
CID 15366338
3-(2-aminoethyl)-1H-indol-5-ol;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 69014970
(3-methylphenyl)methyl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate
CID 6734996
(2S)-2-amino-5-[2-(5-hydroxy-1H-indol-3-yl)ethylamino]-5-oxopentanoic acid
CID 15234236
3-[(5-hydroxy-1H-indol-3-yl)methyl]-1H-indol-5-ol
CID 15949127
3-(2-aminoethyl)-1H-indol-5-ol;deuterium monohydride;methane;N-[2-(5-methyl-1H-indol-3-yl)ethyl]acetamide;hydrochloride
CID 158992514
3-(2-amino-1,2-ditritioethyl)-1H-indol-5-ol
CID 53317992
(2-chloro-4,5-dimethoxyphenyl)methyl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate
CID 6737402
(6-methyl-2-pyridinyl)methyl N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]carbamate
CID 6735938

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-hydroxy-1-prop-2-enoxyethenyl)amino]ethyl]-1H-indol-5-ol?
The IUPAC name of 3-[2-[(2-hydroxy-1-prop-2-enoxyethenyl)amino]ethyl]-1H-indol-5-ol (CID 170711150) is 3-[2-[(2-hydroxy-1-prop-2-enoxyethenyl)amino]ethyl]-1H-indol-5-ol.
What is the SMILES notation for 3-[2-[(2-hydroxy-1-prop-2-enoxyethenyl)amino]ethyl]-1H-indol-5-ol?
The canonical SMILES for 3-[2-[(2-hydroxy-1-prop-2-enoxyethenyl)amino]ethyl]-1H-indol-5-ol is C=CCOC(=CO)NCCc1c[nH]c2ccc(O)cc12.
What is the InChIKey of 3-[2-[(2-hydroxy-1-prop-2-enoxyethenyl)amino]ethyl]-1H-indol-5-ol?
The InChIKey is RMXAHCJKIYTXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-2-7-20-15(10-18)16-6-5-11-9-17-14-4-3-12(19)8-13(11)14/h2-4,8-10,16-19H,1,5-7H2.
What are the key properties of 3-[2-[(2-hydroxy-1-prop-2-enoxyethenyl)amino]ethyl]-1H-indol-5-ol?
3-[2-[(2-hydroxy-1-prop-2-enoxyethenyl)amino]ethyl]-1H-indol-5-ol has a molecular weight of 274.32 g/mol, XLogP of 2.57, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-hydroxy-1-prop-2-enoxyethenyl)amino]ethyl]-1H-indol-5-ol is sourced from PubChem (CID 170711150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).