2-amino-5-hydroxy-3-pent-2-en-2-ylnaphthalene-1,4-dione

C15H15NO3 — CID 150755729

IUPAC2-amino-5-hydroxy-3-pent-2-en-2-ylnaphthalene-1,4-dione
SMILESCCC=C(C)C1=C(N)C(=O)c2cccc(O)c2C1=O
InChIInChI=1S/C15H15NO3/c1-3-5-8(2)11-13(16)14(18)9-6-4-7-10(17)12(9)15(11)19/h4-7,17H,3,16H2,1-2H3
InChIKeyJWUNEVUACNFBJG-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.34
Rot. Bonds2

About 2-amino-5-hydroxy-3-pent-2-en-2-ylnaphthalene-1,4-dione

2-amino-5-hydroxy-3-pent-2-en-2-ylnaphthalene-1,4-dione (PubChem CID 150755729) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-amino-5-hydroxy-3-pent-2-en-2-ylnaphthalene-1,4-dione.

Molecular Properties

Compound Name2-amino-5-hydroxy-3-pent-2-en-2-ylnaphthalene-1,4-dione
PubChem CID150755729
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name2-amino-5-hydroxy-3-pent-2-en-2-ylnaphthalene-1,4-dione
SMILESCCC=C(C)C1=C(N)C(=O)c2cccc(O)c2C1=O
InChIInChI=1S/C15H15NO3/c1-3-5-8(2)11-13(16)14(18)9-6-4-7-10(17)12(9)15(11)19/h4-7,17H,3,16H2,1-2H3
InChIKeyJWUNEVUACNFBJG-UHFFFAOYSA-N
XLogP2.34
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-hydroxy-3-pent-2-en-2-ylnaphthalene-1,4-dione?
The IUPAC name of 2-amino-5-hydroxy-3-pent-2-en-2-ylnaphthalene-1,4-dione (CID 150755729) is 2-amino-5-hydroxy-3-pent-2-en-2-ylnaphthalene-1,4-dione.
What is the SMILES notation for 2-amino-5-hydroxy-3-pent-2-en-2-ylnaphthalene-1,4-dione?
The canonical SMILES for 2-amino-5-hydroxy-3-pent-2-en-2-ylnaphthalene-1,4-dione is CCC=C(C)C1=C(N)C(=O)c2cccc(O)c2C1=O.
What is the InChIKey of 2-amino-5-hydroxy-3-pent-2-en-2-ylnaphthalene-1,4-dione?
The InChIKey is JWUNEVUACNFBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-3-5-8(2)11-13(16)14(18)9-6-4-7-10(17)12(9)15(11)19/h4-7,17H,3,16H2,1-2H3.
What are the key properties of 2-amino-5-hydroxy-3-pent-2-en-2-ylnaphthalene-1,4-dione?
2-amino-5-hydroxy-3-pent-2-en-2-ylnaphthalene-1,4-dione has a molecular weight of 257.29 g/mol, XLogP of 2.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-hydroxy-3-pent-2-en-2-ylnaphthalene-1,4-dione is sourced from PubChem (CID 150755729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).