(E)-6-[[(E)-5-hydroxyhex-3-en-1-ynyl]-(5-methylfuran-2-yl)amino]hex-3-en-5-yn-2-ol

C17H19NO3 — CID 58584097

IUPAC(E)-6-[[(E)-5-hydroxyhex-3-en-1-ynyl]-(5-methylfuran-2-yl)amino]hex-3-en-5-yn-2-ol
SMILESCc1ccc(N(C#C/C=C/C(C)O)C#C/C=C/C(C)O)o1
InChIInChI=1S/C17H19NO3/c1-14(19)8-4-6-12-18(13-7-5-9-15(2)20)17-11-10-16(3)21-17/h4-5,8-11,14-15,19-20H,1-3H3/b8-4+,9-5+
InChIKeyZYAFKADNHSSFEQ-KBXRYBNXSA-N
MW285.34 g/mol
LogP2.19
Rot. Bonds3

About (E)-6-[[(E)-5-hydroxyhex-3-en-1-ynyl]-(5-methylfuran-2-yl)amino]hex-3-en-5-yn-2-ol

(E)-6-[[(E)-5-hydroxyhex-3-en-1-ynyl]-(5-methylfuran-2-yl)amino]hex-3-en-5-yn-2-ol (PubChem CID 58584097) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is (E)-6-[[(E)-5-hydroxyhex-3-en-1-ynyl]-(5-methylfuran-2-yl)amino]hex-3-en-5-yn-2-ol.

Molecular Properties

Compound Name(E)-6-[[(E)-5-hydroxyhex-3-en-1-ynyl]-(5-methylfuran-2-yl)amino]hex-3-en-5-yn-2-ol
PubChem CID58584097
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name(E)-6-[[(E)-5-hydroxyhex-3-en-1-ynyl]-(5-methylfuran-2-yl)amino]hex-3-en-5-yn-2-ol
SMILESCc1ccc(N(C#C/C=C/C(C)O)C#C/C=C/C(C)O)o1
InChIInChI=1S/C17H19NO3/c1-14(19)8-4-6-12-18(13-7-5-9-15(2)20)17-11-10-16(3)21-17/h4-5,8-11,14-15,19-20H,1-3H3/b8-4+,9-5+
InChIKeyZYAFKADNHSSFEQ-KBXRYBNXSA-N
XLogP2.19
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-methyl-2-[[methyl-(5-methylfuran-2-yl)amino]methyl]butanenitrile
CID 115254413
3-hydroxy-4-[methyl-(5-methylfuran-2-yl)amino]butanoic acid
CID 115122985
N-methyl-N-(5-methylfuran-2-yl)carbamoyl chloride
CID 115194566
N-methyl-N-(5-methylfuran-2-yl)-2-oxopropanamide
CID 115175550
(1S,2R)-1-amino-1-(5-methylfuran-2-yl)propan-2-ol
CID 131206305
2-amino-3-[methyl-(5-methylfuran-2-yl)amino]-3-oxopropanoic acid
CID 115179254
2-methyl-5-[(2S)-3-methylbutan-2-yl]furan
CID 59302907
4-N-methyl-4-N-(5-methylfuran-2-yl)-6-N-propan-2-ylpyrimidine-4,6-diamine
CID 115265789
(3R)-5-(5-methylfuran-2-yl)pent-1-yn-3-ol
CID 124706670
3-hydroxy-N-methyl-N-(5-methylfuran-2-yl)propanamide
CID 115138943
2-(5-methylfuran-2-yl)propanenitrile
CID 43316778
(2R)-4-(4-methylphenyl)but-3-en-2-ol
CID 131852428

Frequently Asked Questions

What is the IUPAC name of (E)-6-[[(E)-5-hydroxyhex-3-en-1-ynyl]-(5-methylfuran-2-yl)amino]hex-3-en-5-yn-2-ol?
The IUPAC name of (E)-6-[[(E)-5-hydroxyhex-3-en-1-ynyl]-(5-methylfuran-2-yl)amino]hex-3-en-5-yn-2-ol (CID 58584097) is (E)-6-[[(E)-5-hydroxyhex-3-en-1-ynyl]-(5-methylfuran-2-yl)amino]hex-3-en-5-yn-2-ol.
What is the SMILES notation for (E)-6-[[(E)-5-hydroxyhex-3-en-1-ynyl]-(5-methylfuran-2-yl)amino]hex-3-en-5-yn-2-ol?
The canonical SMILES for (E)-6-[[(E)-5-hydroxyhex-3-en-1-ynyl]-(5-methylfuran-2-yl)amino]hex-3-en-5-yn-2-ol is Cc1ccc(N(C#C/C=C/C(C)O)C#C/C=C/C(C)O)o1.
What is the InChIKey of (E)-6-[[(E)-5-hydroxyhex-3-en-1-ynyl]-(5-methylfuran-2-yl)amino]hex-3-en-5-yn-2-ol?
The InChIKey is ZYAFKADNHSSFEQ-KBXRYBNXSA-N. The full InChI is InChI=1S/C17H19NO3/c1-14(19)8-4-6-12-18(13-7-5-9-15(2)20)17-11-10-16(3)21-17/h4-5,8-11,14-15,19-20H,1-3H3/b8-4+,9-5+.
What are the key properties of (E)-6-[[(E)-5-hydroxyhex-3-en-1-ynyl]-(5-methylfuran-2-yl)amino]hex-3-en-5-yn-2-ol?
(E)-6-[[(E)-5-hydroxyhex-3-en-1-ynyl]-(5-methylfuran-2-yl)amino]hex-3-en-5-yn-2-ol has a molecular weight of 285.34 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-[[(E)-5-hydroxyhex-3-en-1-ynyl]-(5-methylfuran-2-yl)amino]hex-3-en-5-yn-2-ol is sourced from PubChem (CID 58584097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).