(NE)-N-[(5-butylfuran-2-yl)methylidene]hydroxylamine

C9H13NO2 — CID 13205479

IUPAC(NE)-N-[(5-butylfuran-2-yl)methylidene]hydroxylamine
SMILESCCCCc1ccc(/C=N/O)o1
InChIInChI=1S/C9H13NO2/c1-2-3-4-8-5-6-9(12-8)7-10-11/h5-7,11H,2-4H2,1H3/b10-7+
InChIKeyLTRJBVCTDYGREB-JXMROGBWSA-N
MW167.21 g/mol
LogP2.43
Rot. Bonds4

About (NE)-N-[(5-butylfuran-2-yl)methylidene]hydroxylamine

(NE)-N-[(5-butylfuran-2-yl)methylidene]hydroxylamine (PubChem CID 13205479) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is (NE)-N-[(5-butylfuran-2-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(5-butylfuran-2-yl)methylidene]hydroxylamine
PubChem CID13205479
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name(NE)-N-[(5-butylfuran-2-yl)methylidene]hydroxylamine
SMILESCCCCc1ccc(/C=N/O)o1
InChIInChI=1S/C9H13NO2/c1-2-3-4-8-5-6-9(12-8)7-10-11/h5-7,11H,2-4H2,1H3/b10-7+
InChIKeyLTRJBVCTDYGREB-JXMROGBWSA-N
XLogP2.43
TPSA45.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(5-butylfuran-2-yl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(5-butylfuran-2-yl)methylidene]hydroxylamine (CID 13205479) is (NE)-N-[(5-butylfuran-2-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(5-butylfuran-2-yl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(5-butylfuran-2-yl)methylidene]hydroxylamine is CCCCc1ccc(/C=N/O)o1.
What is the InChIKey of (NE)-N-[(5-butylfuran-2-yl)methylidene]hydroxylamine?
The InChIKey is LTRJBVCTDYGREB-JXMROGBWSA-N. The full InChI is InChI=1S/C9H13NO2/c1-2-3-4-8-5-6-9(12-8)7-10-11/h5-7,11H,2-4H2,1H3/b10-7+.
What are the key properties of (NE)-N-[(5-butylfuran-2-yl)methylidene]hydroxylamine?
(NE)-N-[(5-butylfuran-2-yl)methylidene]hydroxylamine has a molecular weight of 167.21 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(5-butylfuran-2-yl)methylidene]hydroxylamine is sourced from PubChem (CID 13205479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).