2-(7H-purin-8-yloxy)ethyl prop-2-enoate

C10H10N4O3 — CID 59502748

IUPAC2-(7H-purin-8-yloxy)ethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1nc2ncncc2[nH]1
InChIInChI=1S/C10H10N4O3/c1-2-8(15)16-3-4-17-10-13-7-5-11-6-12-9(7)14-10/h2,5-6H,1,3-4H2,(H,11,12,13,14)
InChIKeyBGPXSOZBYRHZDA-UHFFFAOYSA-N
MW234.21 g/mol
LogP0.46
Rot. Bonds5

About 2-(7H-purin-8-yloxy)ethyl prop-2-enoate

2-(7H-purin-8-yloxy)ethyl prop-2-enoate (PubChem CID 59502748) has the molecular formula C10H10N4O3 and a molecular weight of 234.21 g/mol. Its IUPAC name is 2-(7H-purin-8-yloxy)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(7H-purin-8-yloxy)ethyl prop-2-enoate
PubChem CID59502748
Molecular FormulaC10H10N4O3
Molecular Weight234.21 g/mol
Exact Mass234.08
IUPAC Name2-(7H-purin-8-yloxy)ethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1nc2ncncc2[nH]1
InChIInChI=1S/C10H10N4O3/c1-2-8(15)16-3-4-17-10-13-7-5-11-6-12-9(7)14-10/h2,5-6H,1,3-4H2,(H,11,12,13,14)
InChIKeyBGPXSOZBYRHZDA-UHFFFAOYSA-N
XLogP0.46
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[(4,6-dioxo-1H-1,3,5-triazin-2-yl)oxy]ethyl prop-2-enoate
CID 68786519
2-pyridin-3-yloxyethyl prop-2-enoate
CID 59502785
2-(7H-purin-8-yl)ethanamine
CID 83671812
2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
2-(7H-purin-8-yl)acetaldehyde
CID 54084471
2-quinoxalin-2-yloxyethyl prop-2-enoate
CID 59502779
1-(7H-purin-8-yl)prop-2-en-1-ol
CID 66692532
6-(7H-purin-8-yl)hexan-1-amine
CID 114402076
3-[4,6-bis(2-prop-2-enoyloxyethoxy)-1,3,5-triazin-2-yl]propyl prop-2-enoate
CID 158251323
2-[4-[2-[6-[2-[4-(2-prop-2-enoyloxyethoxy)phenyl]ethynyl]-3-pyridinyl]ethynyl]phenoxy]ethyl prop-2-enoate
CID 58721252
8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375

Frequently Asked Questions

What is the IUPAC name of 2-(7H-purin-8-yloxy)ethyl prop-2-enoate?
The IUPAC name of 2-(7H-purin-8-yloxy)ethyl prop-2-enoate (CID 59502748) is 2-(7H-purin-8-yloxy)ethyl prop-2-enoate.
What is the SMILES notation for 2-(7H-purin-8-yloxy)ethyl prop-2-enoate?
The canonical SMILES for 2-(7H-purin-8-yloxy)ethyl prop-2-enoate is C=CC(=O)OCCOc1nc2ncncc2[nH]1.
What is the InChIKey of 2-(7H-purin-8-yloxy)ethyl prop-2-enoate?
The InChIKey is BGPXSOZBYRHZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c1-2-8(15)16-3-4-17-10-13-7-5-11-6-12-9(7)14-10/h2,5-6H,1,3-4H2,(H,11,12,13,14).
What are the key properties of 2-(7H-purin-8-yloxy)ethyl prop-2-enoate?
2-(7H-purin-8-yloxy)ethyl prop-2-enoate has a molecular weight of 234.21 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7H-purin-8-yloxy)ethyl prop-2-enoate is sourced from PubChem (CID 59502748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).