(NE)-N-[[3-(5-phenylpent-1-ynyl)furan-2-yl]methylidene]hydroxylamine

C16H15NO2 — CID 175961764

IUPAC(NE)-N-[[3-(5-phenylpent-1-ynyl)furan-2-yl]methylidene]hydroxylamine
SMILESO/N=C/c1occc1C#CCCCc1ccccc1
InChIInChI=1S/C16H15NO2/c18-17-13-16-15(11-12-19-16)10-6-2-5-9-14-7-3-1-4-8-14/h1,3-4,7-8,11-13,18H,2,5,9H2/b17-13+
InChIKeyKHYOVUPCEXUVOQ-GHRIWEEISA-N
MW253.30 g/mol
LogP3.46
Rot. Bonds4

About (NE)-N-[[3-(5-phenylpent-1-ynyl)furan-2-yl]methylidene]hydroxylamine

(NE)-N-[[3-(5-phenylpent-1-ynyl)furan-2-yl]methylidene]hydroxylamine (PubChem CID 175961764) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is (NE)-N-[[3-(5-phenylpent-1-ynyl)furan-2-yl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[3-(5-phenylpent-1-ynyl)furan-2-yl]methylidene]hydroxylamine
PubChem CID175961764
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name(NE)-N-[[3-(5-phenylpent-1-ynyl)furan-2-yl]methylidene]hydroxylamine
SMILESO/N=C/c1occc1C#CCCCc1ccccc1
InChIInChI=1S/C16H15NO2/c18-17-13-16-15(11-12-19-16)10-6-2-5-9-14-7-3-1-4-8-14/h1,3-4,7-8,11-13,18H,2,5,9H2/b17-13+
InChIKeyKHYOVUPCEXUVOQ-GHRIWEEISA-N
XLogP3.46
TPSA45.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[3-(5-phenylpent-1-ynyl)furan-2-yl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[3-(5-phenylpent-1-ynyl)furan-2-yl]methylidene]hydroxylamine (CID 175961764) is (NE)-N-[[3-(5-phenylpent-1-ynyl)furan-2-yl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[3-(5-phenylpent-1-ynyl)furan-2-yl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[3-(5-phenylpent-1-ynyl)furan-2-yl]methylidene]hydroxylamine is O/N=C/c1occc1C#CCCCc1ccccc1.
What is the InChIKey of (NE)-N-[[3-(5-phenylpent-1-ynyl)furan-2-yl]methylidene]hydroxylamine?
The InChIKey is KHYOVUPCEXUVOQ-GHRIWEEISA-N. The full InChI is InChI=1S/C16H15NO2/c18-17-13-16-15(11-12-19-16)10-6-2-5-9-14-7-3-1-4-8-14/h1,3-4,7-8,11-13,18H,2,5,9H2/b17-13+.
What are the key properties of (NE)-N-[[3-(5-phenylpent-1-ynyl)furan-2-yl]methylidene]hydroxylamine?
(NE)-N-[[3-(5-phenylpent-1-ynyl)furan-2-yl]methylidene]hydroxylamine has a molecular weight of 253.30 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[3-(5-phenylpent-1-ynyl)furan-2-yl]methylidene]hydroxylamine is sourced from PubChem (CID 175961764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).